USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 CYS SG : rot 160:sc= 0.347! USER MOD Set 1.2: A 63 CYS SG : rot -44:sc= 0.29 USER MOD Set 1.3: A 76 HIS : no HE2:sc= -4.72! C(o=-12!,f=-15!) USER MOD Set 1.4: A 80 HIS : no HE2:sc= -8.07! C(o=-12!,f=-14!) USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 72 ASN : amide:sc= -0.417 K(o=-0.42,f=-3.6!) USER MOD Set 3.1: A 47 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0402) USER MOD Set 3.2: A 69 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Set 4.1: A 56 LYS NZ :NH3+ -159:sc= -0.0897 (180deg=-0.704) USER MOD Set 4.2: A 68 SER OG : rot 150:sc= 0 USER MOD Set 5.1: A 46 LYS NZ :NH3+ -162:sc= -0.229 (180deg=-0.553) USER MOD Set 5.2: A 49 THR OG1 : rot -13:sc= -3.02! USER MOD Set 6.1: A 32 CYS SG : rot 130:sc= -0.516! USER MOD Set 6.2: A 35 CYS SG : rot -27:sc= 0.388 USER MOD Set 6.3: A 48 HIS : no HE2:sc= -2.61! C(o=-5.5!,f=-8.8!) USER MOD Set 6.4: A 52 HIS : no HE2:sc= -2.74 K(o=-5.5,f=-7.2!) USER MOD Set 7.1: A 19 THR OG1 : rot 170:sc= 0 USER MOD Set 7.2: A 41 GLN : amide:sc= -1.61 K(o=-1.6,f=-2.4!) USER MOD Set 8.1: A 15 SER OG : rot 180:sc= -0.0847 USER MOD Set 8.2: A 16 THR OG1 : rot 75:sc= -1.98! USER MOD Set 9.1: A 4 CYS SG : rot 147:sc= 1.89 USER MOD Set 9.2: A 7 CYS SG : rot -37:sc= -0.139 USER MOD Set 9.3: A 20 HIS : no HE2:sc= -4.93! C(o=-5.5!,f=-7.6!) USER MOD Set 9.4: A 24 HIS : no HE2:sc= -2.35 K(o=-5.5,f=-7.4!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 79:sc= 0.598 USER MOD Single : A 27 THR OG1 : rot -160:sc= -0.368 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0349 X(o=-0.035,f=-0.042) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.894! C(o=-0.89!,f=-8.8!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0628 USER MOD Single : A 45 MET CE :methyl -155:sc= -0.0463 (180deg=-0.621) USER MOD Single : A 53 THR OG1 : rot -5:sc= -1.43! USER MOD Single : A 58 HIS :FLIP no HE2:sc= -0.078 F(o=-0.8,f=-0.078) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -4.31! C(o=-4.3!,f=-16!) USER MOD Single : A 65 LYS NZ :NH3+ -150:sc= -0.305 (180deg=-1.27!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.258 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= -0.103 (180deg=-0.702) USER MOD Single : A 81 THR OG1 : rot 74:sc= 0.016 USER MOD ----------------------------------------------------------------- ATOM 14 N PHE A 2 -11.731 -6.401 37.332 1.00 70.07 N ATOM 15 CA PHE A 2 -12.656 -5.255 37.084 1.00 70.07 C ATOM 16 C PHE A 2 -13.309 -5.426 35.709 1.00 70.07 C ATOM 17 O PHE A 2 -12.646 -5.675 34.724 1.00 70.07 O ATOM 18 CB PHE A 2 -11.847 -3.956 37.110 1.00 70.07 C ATOM 19 CG PHE A 2 -10.721 -4.098 38.101 1.00 70.07 C ATOM 20 CD1 PHE A 2 -10.986 -4.014 39.470 1.00 70.07 C ATOM 21 CD2 PHE A 2 -9.415 -4.320 37.654 1.00 70.07 C ATOM 22 CE1 PHE A 2 -9.947 -4.152 40.395 1.00 70.07 C ATOM 23 CE2 PHE A 2 -8.377 -4.460 38.578 1.00 70.07 C ATOM 24 CZ PHE A 2 -8.640 -4.373 39.949 1.00 70.07 C ATOM 0 HA PHE A 2 -13.430 -5.223 37.851 1.00 70.07 H new ATOM 0 HB2 PHE A 2 -11.450 -3.740 36.118 1.00 70.07 H new ATOM 0 HB3 PHE A 2 -12.488 -3.119 37.386 1.00 70.07 H new ATOM 0 HD1 PHE A 2 -11.995 -3.842 39.814 1.00 70.07 H new ATOM 0 HD2 PHE A 2 -9.209 -4.383 36.596 1.00 70.07 H new ATOM 0 HE1 PHE A 2 -10.153 -4.088 41.453 1.00 70.07 H new ATOM 0 HE2 PHE A 2 -7.369 -4.636 38.233 1.00 70.07 H new ATOM 0 HZ PHE A 2 -7.835 -4.476 40.662 1.00 70.07 H new ATOM 34 N ASP A 3 -14.612 -5.342 35.646 1.00 83.59 N ATOM 35 CA ASP A 3 -15.295 -5.551 34.338 1.00 83.59 C ATOM 36 C ASP A 3 -15.971 -4.282 33.825 1.00 83.59 C ATOM 37 O ASP A 3 -16.875 -3.731 34.429 1.00 83.59 O ATOM 38 CB ASP A 3 -16.338 -6.655 34.482 1.00 83.59 C ATOM 39 CG ASP A 3 -17.438 -6.187 35.428 1.00 83.59 C ATOM 40 OD1 ASP A 3 -17.128 -5.429 36.333 1.00 83.59 O ATOM 41 OD2 ASP A 3 -18.570 -6.589 35.231 1.00 83.59 O ATOM 0 H ASP A 3 -15.226 -5.140 36.435 1.00 83.59 H new ATOM 0 HA ASP A 3 -14.533 -5.834 33.612 1.00 83.59 H new ATOM 0 HB2 ASP A 3 -16.760 -6.902 33.508 1.00 83.59 H new ATOM 0 HB3 ASP A 3 -15.873 -7.563 34.867 1.00 83.59 H new ATOM 46 N CYS A 4 -15.555 -3.866 32.669 1.00 50.89 N ATOM 47 CA CYS A 4 -16.183 -2.672 32.037 1.00 50.89 C ATOM 48 C CYS A 4 -17.699 -2.886 32.001 1.00 50.89 C ATOM 49 O CYS A 4 -18.180 -3.904 31.555 1.00 50.89 O ATOM 50 CB CYS A 4 -15.710 -2.508 30.605 1.00 50.89 C ATOM 51 SG CYS A 4 -17.036 -1.711 29.659 1.00 50.89 S ATOM 0 H CYS A 4 -14.806 -4.299 32.130 1.00 50.89 H new ATOM 0 HA CYS A 4 -15.911 -1.788 32.614 1.00 50.89 H new ATOM 0 HB2 CYS A 4 -14.803 -1.905 30.571 1.00 50.89 H new ATOM 0 HB3 CYS A 4 -15.464 -3.478 30.172 1.00 50.89 H new ATOM 0 HG CYS A 4 -16.517 -0.955 28.738 1.00 50.89 H new ATOM 56 N LYS A 5 -18.448 -1.969 32.510 1.00 99.16 N ATOM 57 CA LYS A 5 -19.932 -2.150 32.543 1.00 99.16 C ATOM 58 C LYS A 5 -20.594 -1.681 31.246 1.00 99.16 C ATOM 59 O LYS A 5 -21.737 -1.989 30.983 1.00 99.16 O ATOM 60 CB LYS A 5 -20.503 -1.324 33.697 1.00 99.16 C ATOM 61 CG LYS A 5 -19.753 -1.645 35.005 1.00 99.16 C ATOM 62 CD LYS A 5 -18.680 -0.578 35.273 1.00 99.16 C ATOM 63 CE LYS A 5 -19.273 0.540 36.134 1.00 99.16 C ATOM 64 NZ LYS A 5 -18.425 1.756 36.014 1.00 99.16 N ATOM 0 H LYS A 5 -18.108 -1.094 32.909 1.00 99.16 H new ATOM 0 HA LYS A 5 -20.137 -3.213 32.670 1.00 99.16 H new ATOM 0 HB2 LYS A 5 -20.416 -0.261 33.471 1.00 99.16 H new ATOM 0 HB3 LYS A 5 -21.565 -1.538 33.816 1.00 99.16 H new ATOM 0 HG2 LYS A 5 -20.456 -1.682 35.837 1.00 99.16 H new ATOM 0 HG3 LYS A 5 -19.289 -2.629 34.936 1.00 99.16 H new ATOM 0 HD2 LYS A 5 -17.825 -1.026 35.779 1.00 99.16 H new ATOM 0 HD3 LYS A 5 -18.315 -0.170 34.331 1.00 99.16 H new ATOM 0 HE2 LYS A 5 -20.291 0.760 35.814 1.00 99.16 H new ATOM 0 HE3 LYS A 5 -19.328 0.222 37.175 1.00 99.16 H new ATOM 0 HZ1 LYS A 5 -18.826 2.518 36.598 1.00 99.16 H new ATOM 0 HZ2 LYS A 5 -17.461 1.541 36.340 1.00 99.16 H new ATOM 0 HZ3 LYS A 5 -18.395 2.061 35.020 1.00 99.16 H new ATOM 78 N ILE A 6 -19.915 -0.901 30.456 1.00112.28 N ATOM 79 CA ILE A 6 -20.540 -0.361 29.204 1.00112.28 C ATOM 80 C ILE A 6 -20.585 -1.394 28.077 1.00112.28 C ATOM 81 O ILE A 6 -21.625 -1.935 27.746 1.00112.28 O ATOM 82 CB ILE A 6 -19.715 0.833 28.722 1.00112.28 C ATOM 83 CG1 ILE A 6 -19.260 1.672 29.924 1.00112.28 C ATOM 84 CG2 ILE A 6 -20.561 1.690 27.776 1.00112.28 C ATOM 85 CD1 ILE A 6 -20.471 2.099 30.750 1.00112.28 C ATOM 0 H ILE A 6 -18.951 -0.609 30.618 1.00112.28 H new ATOM 0 HA ILE A 6 -21.565 -0.079 29.444 1.00112.28 H new ATOM 0 HB ILE A 6 -18.834 0.473 28.190 1.00112.28 H new ATOM 0 HG12 ILE A 6 -18.573 1.094 30.542 1.00112.28 H new ATOM 0 HG13 ILE A 6 -18.716 2.551 29.579 1.00112.28 H new ATOM 0 HG21 ILE A 6 -19.973 2.541 27.432 1.00112.28 H new ATOM 0 HG22 ILE A 6 -20.868 1.091 26.919 1.00112.28 H new ATOM 0 HG23 ILE A 6 -21.445 2.049 28.303 1.00112.28 H new ATOM 0 HD11 ILE A 6 -20.139 2.694 31.601 1.00112.28 H new ATOM 0 HD12 ILE A 6 -21.142 2.694 30.131 1.00112.28 H new ATOM 0 HD13 ILE A 6 -20.997 1.214 31.109 1.00112.28 H new ATOM 97 N CYS A 7 -19.462 -1.685 27.498 1.00 82.08 N ATOM 98 CA CYS A 7 -19.457 -2.695 26.414 1.00 82.08 C ATOM 99 C CYS A 7 -19.290 -4.050 27.086 1.00 82.08 C ATOM 100 O CYS A 7 -19.880 -5.033 26.677 1.00 82.08 O ATOM 101 CB CYS A 7 -18.360 -2.399 25.377 1.00 82.08 C ATOM 102 SG CYS A 7 -16.716 -2.703 26.054 1.00 82.08 S ATOM 0 H CYS A 7 -18.557 -1.273 27.724 1.00 82.08 H new ATOM 0 HA CYS A 7 -20.388 -2.676 25.847 1.00 82.08 H new ATOM 0 HB2 CYS A 7 -18.513 -3.021 24.495 1.00 82.08 H new ATOM 0 HB3 CYS A 7 -18.435 -1.361 25.052 1.00 82.08 H new ATOM 0 HG CYS A 7 -16.690 -2.351 27.305 1.00 82.08 H new ATOM 107 N GLY A 8 -18.585 -4.104 28.188 1.00195.93 N ATOM 108 CA GLY A 8 -18.512 -5.403 28.926 1.00195.93 C ATOM 109 C GLY A 8 -17.272 -6.251 28.604 1.00195.93 C ATOM 110 O GLY A 8 -17.392 -7.422 28.316 1.00195.93 O ATOM 0 H GLY A 8 -18.069 -3.327 28.601 1.00195.93 H new ATOM 0 HA2 GLY A 8 -18.529 -5.199 29.997 1.00195.93 H new ATOM 0 HA3 GLY A 8 -19.404 -5.986 28.698 1.00195.93 H new ATOM 114 N LYS A 9 -16.094 -5.701 28.727 1.00114.22 N ATOM 115 CA LYS A 9 -14.846 -6.503 28.519 1.00114.22 C ATOM 116 C LYS A 9 -14.162 -6.503 29.883 1.00114.22 C ATOM 117 O LYS A 9 -14.576 -5.773 30.757 1.00114.22 O ATOM 118 CB LYS A 9 -13.926 -5.852 27.476 1.00114.22 C ATOM 119 CG LYS A 9 -14.586 -5.808 26.100 1.00114.22 C ATOM 120 CD LYS A 9 -13.571 -5.223 25.114 1.00114.22 C ATOM 121 CE LYS A 9 -14.202 -5.053 23.731 1.00114.22 C ATOM 122 NZ LYS A 9 -13.176 -4.535 22.780 1.00114.22 N ATOM 0 H LYS A 9 -15.938 -4.721 28.965 1.00114.22 H new ATOM 0 HA LYS A 9 -15.070 -7.504 28.150 1.00114.22 H new ATOM 0 HB2 LYS A 9 -13.674 -4.840 27.793 1.00114.22 H new ATOM 0 HB3 LYS A 9 -12.991 -6.409 27.415 1.00114.22 H new ATOM 0 HG2 LYS A 9 -14.888 -6.808 25.789 1.00114.22 H new ATOM 0 HG3 LYS A 9 -15.488 -5.197 26.128 1.00114.22 H new ATOM 0 HD2 LYS A 9 -13.215 -4.259 25.479 1.00114.22 H new ATOM 0 HD3 LYS A 9 -12.703 -5.878 25.046 1.00114.22 H new ATOM 0 HE2 LYS A 9 -14.593 -6.007 23.378 1.00114.22 H new ATOM 0 HE3 LYS A 9 -15.045 -4.364 23.786 1.00114.22 H new ATOM 0 HZ1 LYS A 9 -13.603 -4.418 21.839 1.00114.22 H new ATOM 0 HZ2 LYS A 9 -12.823 -3.616 23.116 1.00114.22 H new ATOM 0 HZ3 LYS A 9 -12.386 -5.209 22.721 1.00114.22 H new ATOM 136 N SER A 10 -13.205 -7.352 30.145 1.00 78.05 N ATOM 137 CA SER A 10 -12.647 -7.370 31.540 1.00 78.05 C ATOM 138 C SER A 10 -11.166 -6.953 31.624 1.00 78.05 C ATOM 139 O SER A 10 -10.390 -7.159 30.718 1.00 78.05 O ATOM 140 CB SER A 10 -12.809 -8.775 32.095 0.50 78.05 C ATOM 141 OG SER A 10 -12.049 -9.670 31.297 1.00 78.05 O ATOM 0 H SER A 10 -12.794 -8.013 29.486 1.00 78.05 H new ATOM 0 HA SER A 10 -13.201 -6.634 32.123 1.00 78.05 H new ATOM 0 HB2 SER A 10 -12.472 -8.813 33.131 0.50 78.05 H new ATOM 0 HB3 SER A 10 -13.860 -9.064 32.091 0.50 78.05 H new ATOM 0 HG SER A 10 -12.144 -10.581 31.646 1.00 78.05 H new ATOM 147 N PHE A 11 -10.797 -6.350 32.745 1.00 54.66 N ATOM 148 CA PHE A 11 -9.389 -5.887 32.958 1.00 54.66 C ATOM 149 C PHE A 11 -8.855 -6.396 34.303 1.00 54.66 C ATOM 150 O PHE A 11 -9.484 -6.256 35.334 1.00 54.66 O ATOM 151 CB PHE A 11 -9.377 -4.361 32.930 1.00 54.66 C ATOM 152 CG PHE A 11 -10.175 -3.933 31.731 1.00 54.66 C ATOM 153 CD1 PHE A 11 -11.561 -3.812 31.833 1.00 54.66 C ATOM 154 CD2 PHE A 11 -9.541 -3.714 30.504 1.00 54.66 C ATOM 155 CE1 PHE A 11 -12.313 -3.483 30.711 1.00 54.66 C ATOM 156 CE2 PHE A 11 -10.298 -3.368 29.382 1.00 54.66 C ATOM 157 CZ PHE A 11 -11.685 -3.257 29.485 1.00 54.66 C ATOM 0 H PHE A 11 -11.426 -6.161 33.525 1.00 54.66 H new ATOM 0 HA PHE A 11 -8.747 -6.281 32.171 1.00 54.66 H new ATOM 0 HB2 PHE A 11 -9.810 -3.956 33.845 1.00 54.66 H new ATOM 0 HB3 PHE A 11 -8.356 -3.985 32.867 1.00 54.66 H new ATOM 0 HD1 PHE A 11 -12.049 -3.974 32.783 1.00 54.66 H new ATOM 0 HD2 PHE A 11 -8.468 -3.812 30.424 1.00 54.66 H new ATOM 0 HE1 PHE A 11 -13.387 -3.402 30.788 1.00 54.66 H new ATOM 0 HE2 PHE A 11 -9.810 -3.187 28.436 1.00 54.66 H new ATOM 0 HZ PHE A 11 -12.272 -2.996 28.617 1.00 54.66 H new ATOM 167 N LYS A 12 -7.692 -6.996 34.282 1.00101.13 N ATOM 168 CA LYS A 12 -7.072 -7.531 35.535 1.00101.13 C ATOM 169 C LYS A 12 -6.559 -6.374 36.385 1.00101.13 C ATOM 170 O LYS A 12 -6.339 -6.501 37.571 1.00101.13 O ATOM 171 CB LYS A 12 -5.852 -8.383 35.168 1.00101.13 C ATOM 172 CG LYS A 12 -6.224 -9.356 34.048 1.00101.13 C ATOM 173 CD LYS A 12 -4.973 -10.116 33.578 1.00101.13 C ATOM 174 CE LYS A 12 -4.846 -11.448 34.325 1.00101.13 C ATOM 175 NZ LYS A 12 -3.762 -12.262 33.700 1.00101.13 N ATOM 0 H LYS A 12 -7.137 -7.140 33.438 1.00101.13 H new ATOM 0 HA LYS A 12 -7.819 -8.114 36.075 1.00101.13 H new ATOM 0 HB2 LYS A 12 -5.031 -7.742 34.848 1.00101.13 H new ATOM 0 HB3 LYS A 12 -5.505 -8.934 36.042 1.00101.13 H new ATOM 0 HG2 LYS A 12 -6.977 -10.061 34.402 1.00101.13 H new ATOM 0 HG3 LYS A 12 -6.665 -8.811 33.213 1.00101.13 H new ATOM 0 HD2 LYS A 12 -5.032 -10.298 32.505 1.00101.13 H new ATOM 0 HD3 LYS A 12 -4.084 -9.509 33.750 1.00101.13 H new ATOM 0 HE2 LYS A 12 -4.622 -11.269 35.376 1.00101.13 H new ATOM 0 HE3 LYS A 12 -5.791 -11.990 34.289 1.00101.13 H new ATOM 0 HZ1 LYS A 12 -3.673 -13.167 34.204 1.00101.13 H new ATOM 0 HZ2 LYS A 12 -3.995 -12.443 32.703 1.00101.13 H new ATOM 0 HZ3 LYS A 12 -2.862 -11.744 33.757 1.00101.13 H new ATOM 189 N ARG A 13 -6.321 -5.253 35.742 1.00 74.89 N ATOM 190 CA ARG A 13 -5.764 -4.059 36.443 1.00 74.89 C ATOM 191 C ARG A 13 -6.819 -2.956 36.444 1.00 74.89 C ATOM 192 O ARG A 13 -7.402 -2.641 35.422 1.00 74.89 O ATOM 193 CB ARG A 13 -4.524 -3.573 35.664 1.00 74.89 C ATOM 194 CG ARG A 13 -3.255 -3.649 36.522 1.00 74.89 C ATOM 195 CD ARG A 13 -2.772 -5.100 36.614 1.00 74.89 C ATOM 196 NE ARG A 13 -3.725 -5.891 37.439 1.00 74.89 N ATOM 197 CZ ARG A 13 -3.712 -5.778 38.739 1.00 74.89 C ATOM 198 NH1 ARG A 13 -2.897 -4.938 39.318 1.00 74.89 N ATOM 199 NH2 ARG A 13 -4.523 -6.500 39.460 1.00 74.89 N ATOM 0 H ARG A 13 -6.493 -5.117 34.746 1.00 74.89 H new ATOM 0 HA ARG A 13 -5.490 -4.309 37.468 1.00 74.89 H new ATOM 0 HB2 ARG A 13 -4.395 -4.180 34.768 1.00 74.89 H new ATOM 0 HB3 ARG A 13 -4.680 -2.546 35.334 1.00 74.89 H new ATOM 0 HG2 ARG A 13 -2.475 -3.024 36.088 1.00 74.89 H new ATOM 0 HG3 ARG A 13 -3.457 -3.260 37.520 1.00 74.89 H new ATOM 0 HD2 ARG A 13 -2.693 -5.532 35.616 1.00 74.89 H new ATOM 0 HD3 ARG A 13 -1.776 -5.135 37.056 1.00 74.89 H new ATOM 0 HE ARG A 13 -4.388 -6.521 36.988 1.00 74.89 H new ATOM 0 HH11 ARG A 13 -2.267 -4.367 38.754 1.00 74.89 H new ATOM 0 HH12 ARG A 13 -2.890 -4.853 40.334 1.00 74.89 H new ATOM 0 HH21 ARG A 13 -5.165 -7.151 39.008 1.00 74.89 H new ATOM 0 HH22 ARG A 13 -4.515 -6.414 40.476 1.00 74.89 H new ATOM 213 N SER A 14 -7.080 -2.356 37.574 1.00 25.87 N ATOM 214 CA SER A 14 -8.107 -1.278 37.593 1.00 25.87 C ATOM 215 C SER A 14 -7.666 -0.192 36.613 1.00 25.87 C ATOM 216 O SER A 14 -8.472 0.471 35.993 1.00 25.87 O ATOM 217 CB SER A 14 -8.260 -0.702 39.013 1.00 25.87 C ATOM 218 OG SER A 14 -7.041 -0.077 39.400 1.00 25.87 O ATOM 0 H SER A 14 -6.635 -2.561 38.469 1.00 25.87 H new ATOM 0 HA SER A 14 -9.078 -1.676 37.297 1.00 25.87 H new ATOM 0 HB2 SER A 14 -9.077 0.020 39.039 1.00 25.87 H new ATOM 0 HB3 SER A 14 -8.514 -1.496 39.715 1.00 25.87 H new ATOM 0 HG SER A 14 -7.135 0.292 40.303 1.00 25.87 H new ATOM 224 N SER A 15 -6.380 -0.007 36.477 1.00 23.45 N ATOM 225 CA SER A 15 -5.860 1.026 35.545 1.00 23.45 C ATOM 226 C SER A 15 -6.224 0.671 34.100 1.00 23.45 C ATOM 227 O SER A 15 -6.601 1.527 33.323 1.00 23.45 O ATOM 228 CB SER A 15 -4.349 1.083 35.672 1.00 23.45 C ATOM 229 OG SER A 15 -3.807 -0.198 35.378 1.00 23.45 O ATOM 0 H SER A 15 -5.664 -0.534 36.978 1.00 23.45 H new ATOM 0 HA SER A 15 -6.302 1.990 35.797 1.00 23.45 H new ATOM 0 HB2 SER A 15 -3.942 1.829 34.989 1.00 23.45 H new ATOM 0 HB3 SER A 15 -4.068 1.387 36.680 1.00 23.45 H new ATOM 0 HG SER A 15 -2.831 -0.166 35.457 1.00 23.45 H new ATOM 235 N THR A 16 -6.115 -0.583 33.727 1.00 32.27 N ATOM 236 CA THR A 16 -6.461 -0.980 32.333 1.00 32.27 C ATOM 237 C THR A 16 -7.949 -0.744 32.159 1.00 32.27 C ATOM 238 O THR A 16 -8.418 -0.335 31.111 1.00 32.27 O ATOM 239 CB THR A 16 -6.131 -2.467 32.155 1.00 32.27 C ATOM 240 OG1 THR A 16 -5.672 -2.983 33.390 1.00 32.27 O ATOM 241 CG2 THR A 16 -5.044 -2.649 31.107 1.00 32.27 C ATOM 0 H THR A 16 -5.802 -1.344 34.330 1.00 32.27 H new ATOM 0 HA THR A 16 -5.902 -0.406 31.594 1.00 32.27 H new ATOM 0 HB THR A 16 -7.027 -2.995 31.829 1.00 32.27 H new ATOM 0 HG1 THR A 16 -6.432 -3.104 33.997 1.00 32.27 H new ATOM 0 HG21 THR A 16 -4.822 -3.710 30.993 1.00 32.27 H new ATOM 0 HG22 THR A 16 -5.386 -2.246 30.154 1.00 32.27 H new ATOM 0 HG23 THR A 16 -4.143 -2.122 31.422 1.00 32.27 H new ATOM 249 N LEU A 17 -8.689 -0.936 33.207 1.00 97.78 N ATOM 250 CA LEU A 17 -10.144 -0.661 33.126 1.00 97.78 C ATOM 251 C LEU A 17 -10.323 0.849 33.090 1.00 97.78 C ATOM 252 O LEU A 17 -11.198 1.361 32.436 1.00 97.78 O ATOM 253 CB LEU A 17 -10.860 -1.221 34.358 1.00 97.78 C ATOM 254 CG LEU A 17 -12.248 -0.581 34.507 1.00 97.78 C ATOM 255 CD1 LEU A 17 -13.118 -0.906 33.290 1.00 97.78 C ATOM 256 CD2 LEU A 17 -12.915 -1.140 35.756 1.00 97.78 C ATOM 0 H LEU A 17 -8.353 -1.269 34.111 1.00 97.78 H new ATOM 0 HA LEU A 17 -10.565 -1.131 32.237 1.00 97.78 H new ATOM 0 HB2 LEU A 17 -10.959 -2.303 34.269 1.00 97.78 H new ATOM 0 HB3 LEU A 17 -10.266 -1.028 35.251 1.00 97.78 H new ATOM 0 HG LEU A 17 -12.137 0.501 34.585 1.00 97.78 H new ATOM 0 HD11 LEU A 17 -14.099 -0.446 33.410 1.00 97.78 H new ATOM 0 HD12 LEU A 17 -12.643 -0.518 32.389 1.00 97.78 H new ATOM 0 HD13 LEU A 17 -13.233 -1.986 33.203 1.00 97.78 H new ATOM 0 HD21 LEU A 17 -13.902 -0.693 35.873 1.00 97.78 H new ATOM 0 HD22 LEU A 17 -13.015 -2.221 35.662 1.00 97.78 H new ATOM 0 HD23 LEU A 17 -12.306 -0.907 36.629 1.00 97.78 H new ATOM 268 N SER A 18 -9.506 1.573 33.807 1.00 34.23 N ATOM 269 CA SER A 18 -9.643 3.053 33.812 1.00 34.23 C ATOM 270 C SER A 18 -9.515 3.565 32.375 1.00 34.23 C ATOM 271 O SER A 18 -10.432 4.147 31.837 1.00 34.23 O ATOM 272 CB SER A 18 -8.540 3.663 34.690 0.50 34.23 C ATOM 273 OG SER A 18 -8.779 5.056 34.860 1.00 34.23 O ATOM 0 H SER A 18 -8.753 1.203 34.387 1.00 34.23 H new ATOM 0 HA SER A 18 -10.614 3.340 34.215 1.00 34.23 H new ATOM 0 HB2 SER A 18 -8.518 3.167 35.660 0.50 34.23 H new ATOM 0 HB3 SER A 18 -7.565 3.505 34.229 0.50 34.23 H new ATOM 0 HG SER A 18 -8.075 5.443 35.422 1.00 34.23 H new ATOM 279 N THR A 19 -8.397 3.324 31.742 1.00 30.69 N ATOM 280 CA THR A 19 -8.213 3.770 30.326 1.00 30.69 C ATOM 281 C THR A 19 -9.386 3.269 29.481 1.00 30.69 C ATOM 282 O THR A 19 -9.930 3.963 28.635 1.00 30.69 O ATOM 283 CB THR A 19 -6.932 3.133 29.789 1.00 30.69 C ATOM 284 OG1 THR A 19 -5.835 3.466 30.631 1.00 30.69 O ATOM 285 CG2 THR A 19 -6.663 3.617 28.364 1.00 30.69 C ATOM 0 H THR A 19 -7.598 2.835 32.146 1.00 30.69 H new ATOM 0 HA THR A 19 -8.159 4.858 30.281 1.00 30.69 H new ATOM 0 HB THR A 19 -7.054 2.050 29.776 1.00 30.69 H new ATOM 0 HG1 THR A 19 -5.054 2.930 30.379 1.00 30.69 H new ATOM 0 HG21 THR A 19 -5.748 3.157 27.990 1.00 30.69 H new ATOM 0 HG22 THR A 19 -7.498 3.338 27.721 1.00 30.69 H new ATOM 0 HG23 THR A 19 -6.551 4.701 28.363 1.00 30.69 H new ATOM 293 N HIS A 20 -9.791 2.071 29.732 1.00 81.83 N ATOM 294 CA HIS A 20 -10.926 1.517 28.982 1.00 81.83 C ATOM 295 C HIS A 20 -12.170 2.365 29.301 1.00 81.83 C ATOM 296 O HIS A 20 -12.913 2.797 28.418 1.00 81.83 O ATOM 297 CB HIS A 20 -11.119 0.065 29.405 1.00 81.83 C ATOM 298 CG HIS A 20 -12.263 -0.482 28.643 1.00 81.83 C ATOM 299 ND1 HIS A 20 -12.114 -1.095 27.392 1.00 81.83 N ATOM 300 CD2 HIS A 20 -13.594 -0.428 28.887 1.00 81.83 C ATOM 301 CE1 HIS A 20 -13.350 -1.369 26.936 1.00 81.83 C ATOM 302 NE2 HIS A 20 -14.250 -0.978 27.819 1.00 81.83 N ATOM 0 H HIS A 20 -9.382 1.449 30.429 1.00 81.83 H new ATOM 0 HA HIS A 20 -10.751 1.543 27.907 1.00 81.83 H new ATOM 0 HB2 HIS A 20 -10.217 -0.513 29.206 1.00 81.83 H new ATOM 0 HB3 HIS A 20 -11.309 0.002 30.476 1.00 81.83 H new ATOM 0 HD1 HIS A 20 -11.234 -1.296 26.916 1.00 81.83 H new ATOM 0 HD2 HIS A 20 -14.058 -0.021 29.773 1.00 81.83 H new ATOM 0 HE1 HIS A 20 -13.572 -1.839 25.989 1.00 81.83 H new ATOM 310 N LEU A 21 -12.386 2.653 30.555 1.00156.93 N ATOM 311 CA LEU A 21 -13.547 3.493 30.918 1.00156.93 C ATOM 312 C LEU A 21 -13.380 4.815 30.173 1.00156.93 C ATOM 313 O LEU A 21 -14.329 5.456 29.772 1.00156.93 O ATOM 314 CB LEU A 21 -13.556 3.748 32.435 1.00156.93 C ATOM 315 CG LEU A 21 -14.124 2.537 33.176 1.00156.93 C ATOM 316 CD1 LEU A 21 -13.875 2.697 34.679 1.00156.93 C ATOM 317 CD2 LEU A 21 -15.632 2.418 32.921 1.00156.93 C ATOM 0 H LEU A 21 -11.808 2.342 31.336 1.00156.93 H new ATOM 0 HA LEU A 21 -14.484 3.004 30.652 1.00156.93 H new ATOM 0 HB2 LEU A 21 -12.543 3.952 32.782 1.00156.93 H new ATOM 0 HB3 LEU A 21 -14.154 4.632 32.658 1.00156.93 H new ATOM 0 HG LEU A 21 -13.630 1.636 32.813 1.00156.93 H new ATOM 0 HD11 LEU A 21 -14.279 1.834 35.209 1.00156.93 H new ATOM 0 HD12 LEU A 21 -12.803 2.767 34.865 1.00156.93 H new ATOM 0 HD13 LEU A 21 -14.365 3.603 35.035 1.00156.93 H new ATOM 0 HD21 LEU A 21 -16.024 1.552 33.454 1.00156.93 H new ATOM 0 HD22 LEU A 21 -16.133 3.319 33.275 1.00156.93 H new ATOM 0 HD23 LEU A 21 -15.812 2.298 31.853 1.00156.93 H new ATOM 329 N LEU A 22 -12.138 5.192 29.971 1.00 64.07 N ATOM 330 CA LEU A 22 -11.835 6.444 29.230 1.00 64.07 C ATOM 331 C LEU A 22 -12.197 6.243 27.763 1.00 64.07 C ATOM 332 O LEU A 22 -12.493 7.188 27.080 1.00 64.07 O ATOM 333 CB LEU A 22 -10.349 6.801 29.346 1.00 64.07 C ATOM 334 CG LEU A 22 -9.948 6.963 30.814 1.00 64.07 C ATOM 335 CD1 LEU A 22 -8.537 7.547 30.889 1.00 64.07 C ATOM 336 CD2 LEU A 22 -10.926 7.899 31.537 1.00 64.07 C ATOM 0 H LEU A 22 -11.319 4.676 30.294 1.00 64.07 H new ATOM 0 HA LEU A 22 -12.417 7.261 29.657 1.00 64.07 H new ATOM 0 HB2 LEU A 22 -9.745 6.021 28.882 1.00 64.07 H new ATOM 0 HB3 LEU A 22 -10.148 7.725 28.804 1.00 64.07 H new ATOM 0 HG LEU A 22 -9.974 5.987 31.298 1.00 64.07 H new ATOM 0 HD11 LEU A 22 -8.247 7.664 31.933 1.00 64.07 H new ATOM 0 HD12 LEU A 22 -7.838 6.875 30.391 1.00 64.07 H new ATOM 0 HD13 LEU A 22 -8.519 8.519 30.396 1.00 64.07 H new ATOM 0 HD21 LEU A 22 -10.626 8.003 32.580 1.00 64.07 H new ATOM 0 HD22 LEU A 22 -10.915 8.877 31.057 1.00 64.07 H new ATOM 0 HD23 LEU A 22 -11.932 7.482 31.489 1.00 64.07 H new ATOM 348 N ILE A 23 -12.218 5.025 27.268 1.00150.10 N ATOM 349 CA ILE A 23 -12.631 4.822 25.850 1.00150.10 C ATOM 350 C ILE A 23 -14.103 5.150 25.764 1.00150.10 C ATOM 351 O ILE A 23 -14.579 5.678 24.778 1.00150.10 O ATOM 352 CB ILE A 23 -12.423 3.362 25.440 1.00150.10 C ATOM 353 CG1 ILE A 23 -10.927 3.059 25.481 1.00150.10 C ATOM 354 CG2 ILE A 23 -12.943 3.155 24.014 1.00150.10 C ATOM 355 CD1 ILE A 23 -10.687 1.575 25.201 1.00150.10 C ATOM 0 H ILE A 23 -11.970 4.178 27.780 1.00150.10 H new ATOM 0 HA ILE A 23 -12.039 5.455 25.189 1.00150.10 H new ATOM 0 HB ILE A 23 -12.961 2.700 26.119 1.00150.10 H new ATOM 0 HG12 ILE A 23 -10.404 3.666 24.742 1.00150.10 H new ATOM 0 HG13 ILE A 23 -10.520 3.324 26.457 1.00150.10 H new ATOM 0 HG21 ILE A 23 -12.796 2.116 23.720 1.00150.10 H new ATOM 0 HG22 ILE A 23 -14.005 3.396 23.976 1.00150.10 H new ATOM 0 HG23 ILE A 23 -12.398 3.806 23.330 1.00150.10 H new ATOM 0 HD11 ILE A 23 -9.617 1.367 25.232 1.00150.10 H new ATOM 0 HD12 ILE A 23 -11.195 0.975 25.956 1.00150.10 H new ATOM 0 HD13 ILE A 23 -11.077 1.323 24.215 1.00150.10 H new ATOM 367 N HIS A 24 -14.830 4.873 26.809 1.00 55.94 N ATOM 368 CA HIS A 24 -16.284 5.215 26.775 1.00 55.94 C ATOM 369 C HIS A 24 -16.473 6.700 27.089 1.00 55.94 C ATOM 370 O HIS A 24 -17.307 7.364 26.501 1.00 55.94 O ATOM 371 CB HIS A 24 -17.059 4.396 27.807 1.00 55.94 C ATOM 372 CG HIS A 24 -17.075 2.955 27.397 1.00 55.94 C ATOM 373 ND1 HIS A 24 -17.513 2.528 26.136 1.00 55.94 N ATOM 374 CD2 HIS A 24 -16.624 1.837 28.038 1.00 55.94 C ATOM 375 CE1 HIS A 24 -17.295 1.194 26.061 1.00 55.94 C ATOM 376 NE2 HIS A 24 -16.763 0.756 27.191 1.00 55.94 N ATOM 0 H HIS A 24 -14.494 4.435 27.667 1.00 55.94 H new ATOM 0 HA HIS A 24 -16.662 4.988 25.778 1.00 55.94 H new ATOM 0 HB2 HIS A 24 -16.598 4.500 28.789 1.00 55.94 H new ATOM 0 HB3 HIS A 24 -18.079 4.771 27.892 1.00 55.94 H new ATOM 0 HD1 HIS A 24 -17.921 3.115 25.408 1.00 55.94 H new ATOM 0 HD2 HIS A 24 -16.225 1.804 29.041 1.00 55.94 H new ATOM 0 HE1 HIS A 24 -17.522 0.577 25.204 1.00 55.94 H new ATOM 384 N SER A 25 -15.711 7.244 27.997 1.00 89.10 N ATOM 385 CA SER A 25 -15.862 8.686 28.326 1.00 89.10 C ATOM 386 C SER A 25 -15.038 9.509 27.332 1.00 89.10 C ATOM 387 O SER A 25 -15.032 10.721 27.357 1.00 89.10 O ATOM 388 CB SER A 25 -15.334 8.909 29.743 1.00 89.10 C ATOM 389 OG SER A 25 -15.800 7.857 30.580 1.00 89.10 O ATOM 0 H SER A 25 -14.991 6.751 28.525 1.00 89.10 H new ATOM 0 HA SER A 25 -16.907 8.990 28.266 1.00 89.10 H new ATOM 0 HB2 SER A 25 -14.244 8.933 29.740 1.00 89.10 H new ATOM 0 HB3 SER A 25 -15.673 9.872 30.124 1.00 89.10 H new ATOM 0 HG SER A 25 -15.251 7.058 30.438 1.00 89.10 H new ATOM 395 N ASP A 26 -14.331 8.837 26.473 1.00 62.89 N ATOM 396 CA ASP A 26 -13.474 9.527 25.461 1.00 62.89 C ATOM 397 C ASP A 26 -12.631 10.609 26.132 1.00 62.89 C ATOM 398 O ASP A 26 -12.594 11.743 25.697 1.00 62.89 O ATOM 399 CB ASP A 26 -14.353 10.146 24.376 1.00 62.89 C ATOM 400 CG ASP A 26 -15.235 9.064 23.752 1.00 62.89 C ATOM 401 OD1 ASP A 26 -14.810 7.919 23.734 1.00 62.89 O ATOM 402 OD2 ASP A 26 -16.318 9.397 23.308 1.00 62.89 O ATOM 0 H ASP A 26 -14.307 7.818 26.425 1.00 62.89 H new ATOM 0 HA ASP A 26 -12.805 8.796 25.006 1.00 62.89 H new ATOM 0 HB2 ASP A 26 -14.974 10.934 24.802 1.00 62.89 H new ATOM 0 HB3 ASP A 26 -13.731 10.609 23.610 1.00 62.89 H new ATOM 407 N THR A 27 -11.941 10.263 27.177 1.00115.68 N ATOM 408 CA THR A 27 -11.082 11.270 27.875 1.00115.68 C ATOM 409 C THR A 27 -9.664 11.230 27.287 1.00115.68 C ATOM 410 O THR A 27 -9.066 10.182 27.147 1.00115.68 O ATOM 411 CB THR A 27 -11.031 10.942 29.369 1.00115.68 C ATOM 412 OG1 THR A 27 -12.268 10.369 29.755 1.00115.68 O ATOM 413 CG2 THR A 27 -10.786 12.218 30.188 1.00115.68 C ATOM 0 H THR A 27 -11.930 9.328 27.583 1.00115.68 H new ATOM 0 HA THR A 27 -11.500 12.267 27.737 1.00115.68 H new ATOM 0 HB THR A 27 -10.216 10.243 29.555 1.00115.68 H new ATOM 0 HG1 THR A 27 -12.375 10.446 30.726 1.00115.68 H new ATOM 0 HG21 THR A 27 -10.752 11.969 31.249 1.00115.68 H new ATOM 0 HG22 THR A 27 -9.838 12.665 29.890 1.00115.68 H new ATOM 0 HG23 THR A 27 -11.594 12.927 30.007 1.00115.68 H new ATOM 421 N ARG A 28 -9.121 12.366 26.938 1.00115.33 N ATOM 422 CA ARG A 28 -7.748 12.390 26.355 1.00115.33 C ATOM 423 C ARG A 28 -7.021 13.652 26.821 1.00115.33 C ATOM 424 O ARG A 28 -6.899 14.606 26.080 1.00115.33 O ATOM 425 CB ARG A 28 -7.858 12.402 24.828 1.00115.33 C ATOM 426 CG ARG A 28 -8.878 11.354 24.377 1.00115.33 C ATOM 427 CD ARG A 28 -8.801 11.183 22.859 1.00115.33 C ATOM 428 NE ARG A 28 -9.731 10.098 22.438 1.00115.33 N ATOM 429 CZ ARG A 28 -9.393 8.850 22.609 1.00115.33 C ATOM 430 NH1 ARG A 28 -8.228 8.557 23.123 1.00115.33 N ATOM 431 NH2 ARG A 28 -10.213 7.897 22.264 1.00115.33 N ATOM 0 H ARG A 28 -9.569 13.278 27.031 1.00115.33 H new ATOM 0 HA ARG A 28 -7.192 11.511 26.680 1.00115.33 H new ATOM 0 HB2 ARG A 28 -8.161 13.391 24.483 1.00115.33 H new ATOM 0 HB3 ARG A 28 -6.886 12.193 24.382 1.00115.33 H new ATOM 0 HG2 ARG A 28 -8.680 10.403 24.871 1.00115.33 H new ATOM 0 HG3 ARG A 28 -9.883 11.661 24.668 1.00115.33 H new ATOM 0 HD2 ARG A 28 -9.065 12.117 22.362 1.00115.33 H new ATOM 0 HD3 ARG A 28 -7.781 10.940 22.560 1.00115.33 H new ATOM 0 HE ARG A 28 -10.630 10.331 22.017 1.00115.33 H new ATOM 0 HH11 ARG A 28 -7.586 9.303 23.389 1.00115.33 H new ATOM 0 HH12 ARG A 28 -7.961 7.582 23.258 1.00115.33 H new ATOM 0 HH21 ARG A 28 -11.121 8.127 21.860 1.00115.33 H new ATOM 0 HH22 ARG A 28 -9.947 6.922 22.399 1.00115.33 H new ATOM 445 N PRO A 29 -6.566 13.678 28.047 1.00 90.27 N ATOM 446 CA PRO A 29 -5.877 14.871 28.602 1.00 90.27 C ATOM 447 C PRO A 29 -4.454 15.067 28.049 1.00 90.27 C ATOM 448 O PRO A 29 -3.708 15.889 28.542 1.00 90.27 O ATOM 449 CB PRO A 29 -5.854 14.610 30.111 1.00 90.27 C ATOM 450 CG PRO A 29 -5.911 13.123 30.256 1.00 90.27 C ATOM 451 CD PRO A 29 -6.664 12.589 29.033 1.00 90.27 C ATOM 0 HA PRO A 29 -6.394 15.791 28.328 1.00 90.27 H new ATOM 0 HB2 PRO A 29 -4.950 15.015 30.566 1.00 90.27 H new ATOM 0 HB3 PRO A 29 -6.701 15.086 30.605 1.00 90.27 H new ATOM 0 HG2 PRO A 29 -4.907 12.701 30.307 1.00 90.27 H new ATOM 0 HG3 PRO A 29 -6.422 12.843 31.177 1.00 90.27 H new ATOM 0 HD2 PRO A 29 -6.214 11.670 28.658 1.00 90.27 H new ATOM 0 HD3 PRO A 29 -7.702 12.361 29.273 1.00 90.27 H new ATOM 459 N TYR A 30 -4.069 14.327 27.029 1.00131.19 N ATOM 460 CA TYR A 30 -2.695 14.496 26.451 1.00131.19 C ATOM 461 C TYR A 30 -2.833 15.014 25.021 1.00131.19 C ATOM 462 O TYR A 30 -2.800 14.249 24.075 1.00131.19 O ATOM 463 CB TYR A 30 -1.978 13.144 26.444 1.00131.19 C ATOM 464 CG TYR A 30 -1.814 12.659 27.866 1.00131.19 C ATOM 465 CD1 TYR A 30 -0.948 13.331 28.736 1.00131.19 C ATOM 466 CD2 TYR A 30 -2.534 11.546 28.318 1.00131.19 C ATOM 467 CE1 TYR A 30 -0.801 12.891 30.056 1.00131.19 C ATOM 468 CE2 TYR A 30 -2.387 11.106 29.638 1.00131.19 C ATOM 469 CZ TYR A 30 -1.521 11.779 30.507 1.00131.19 C ATOM 470 OH TYR A 30 -1.375 11.344 31.810 1.00131.19 O ATOM 0 H TYR A 30 -4.645 13.618 26.576 1.00131.19 H new ATOM 0 HA TYR A 30 -2.117 15.202 27.048 1.00131.19 H new ATOM 0 HB2 TYR A 30 -2.549 12.419 25.864 1.00131.19 H new ATOM 0 HB3 TYR A 30 -1.003 13.239 25.965 1.00131.19 H new ATOM 0 HD1 TYR A 30 -0.393 14.190 28.388 1.00131.19 H new ATOM 0 HD2 TYR A 30 -3.203 11.027 27.647 1.00131.19 H new ATOM 0 HE1 TYR A 30 -0.132 13.409 30.727 1.00131.19 H new ATOM 0 HE2 TYR A 30 -2.942 10.247 29.986 1.00131.19 H new ATOM 0 HH TYR A 30 -1.946 10.562 31.960 1.00131.19 H new ATOM 480 N PRO A 31 -3.024 16.303 24.864 1.00108.54 N ATOM 481 CA PRO A 31 -3.212 16.926 23.527 1.00108.54 C ATOM 482 C PRO A 31 -1.894 17.118 22.773 1.00108.54 C ATOM 483 O PRO A 31 -0.973 17.752 23.248 1.00108.54 O ATOM 484 CB PRO A 31 -3.885 18.260 23.861 0.50108.54 C ATOM 485 CG PRO A 31 -3.359 18.624 25.213 0.50108.54 C ATOM 486 CD PRO A 31 -3.071 17.308 25.943 0.50108.54 C ATOM 0 HA PRO A 31 -3.802 16.304 22.854 1.00108.54 H new ATOM 0 HB2 PRO A 31 -3.640 19.023 23.122 0.50108.54 H new ATOM 0 HB3 PRO A 31 -4.971 18.164 23.871 0.50108.54 H new ATOM 0 HG2 PRO A 31 -2.454 19.225 25.127 0.50108.54 H new ATOM 0 HG3 PRO A 31 -4.086 19.221 25.763 0.50108.54 H new ATOM 0 HD2 PRO A 31 -2.128 17.352 26.488 0.50108.54 H new ATOM 0 HD3 PRO A 31 -3.849 17.077 26.670 0.50108.54 H new ATOM 494 N CYS A 32 -1.831 16.613 21.577 1.00 43.40 N ATOM 495 CA CYS A 32 -0.613 16.773 20.736 1.00 43.40 C ATOM 496 C CYS A 32 -0.163 18.238 20.735 1.00 43.40 C ATOM 497 O CYS A 32 -0.954 19.156 20.742 1.00 43.40 O ATOM 498 CB CYS A 32 -0.949 16.331 19.314 1.00 43.40 C ATOM 499 SG CYS A 32 0.066 17.219 18.117 1.00 43.40 S ATOM 0 H CYS A 32 -2.585 16.086 21.137 1.00 43.40 H new ATOM 0 HA CYS A 32 0.198 16.164 21.136 1.00 43.40 H new ATOM 0 HB2 CYS A 32 -0.786 15.258 19.213 1.00 43.40 H new ATOM 0 HB3 CYS A 32 -2.004 16.513 19.110 1.00 43.40 H new ATOM 0 HG CYS A 32 0.607 16.371 17.293 1.00 43.40 H new ATOM 504 N GLN A 33 1.123 18.443 20.738 1.00113.04 N ATOM 505 CA GLN A 33 1.679 19.821 20.755 1.00113.04 C ATOM 506 C GLN A 33 1.730 20.407 19.336 1.00113.04 C ATOM 507 O GLN A 33 1.983 21.583 19.180 1.00113.04 O ATOM 508 CB GLN A 33 3.105 19.791 21.348 1.00113.04 C ATOM 509 CG GLN A 33 3.349 21.030 22.216 1.00113.04 C ATOM 510 CD GLN A 33 2.647 20.859 23.564 1.00113.04 C ATOM 511 OE1 GLN A 33 2.985 19.983 24.334 1.00113.04 O ATOM 512 NE2 GLN A 33 1.674 21.669 23.886 1.00113.04 N ATOM 0 H GLN A 33 1.823 17.701 20.729 1.00113.04 H new ATOM 0 HA GLN A 33 1.032 20.449 21.368 1.00113.04 H new ATOM 0 HB2 GLN A 33 3.238 18.889 21.945 1.00113.04 H new ATOM 0 HB3 GLN A 33 3.839 19.752 20.544 1.00113.04 H new ATOM 0 HG2 GLN A 33 4.419 21.175 22.368 1.00113.04 H new ATOM 0 HG3 GLN A 33 2.975 21.920 21.710 1.00113.04 H new ATOM 0 HE21 GLN A 33 1.389 22.405 23.240 1.00113.04 H new ATOM 0 HE22 GLN A 33 1.200 21.565 24.783 1.00113.04 H new ATOM 521 N TYR A 34 1.534 19.628 18.295 1.00118.47 N ATOM 522 CA TYR A 34 1.631 20.220 16.929 1.00118.47 C ATOM 523 C TYR A 34 0.311 20.131 16.167 1.00118.47 C ATOM 524 O TYR A 34 -0.357 21.128 15.965 1.00118.47 O ATOM 525 CB TYR A 34 2.722 19.490 16.160 1.00118.47 C ATOM 526 CG TYR A 34 3.962 19.514 17.004 1.00118.47 C ATOM 527 CD1 TYR A 34 4.850 20.590 16.915 1.00118.47 C ATOM 528 CD2 TYR A 34 4.210 18.469 17.893 1.00118.47 C ATOM 529 CE1 TYR A 34 5.994 20.619 17.718 1.00118.47 C ATOM 530 CE2 TYR A 34 5.353 18.496 18.699 1.00118.47 C ATOM 531 CZ TYR A 34 6.245 19.571 18.611 1.00118.47 C ATOM 532 OH TYR A 34 7.370 19.600 19.408 1.00118.47 O ATOM 0 H TYR A 34 1.316 18.632 18.333 1.00118.47 H new ATOM 0 HA TYR A 34 1.872 21.278 17.030 1.00118.47 H new ATOM 0 HB2 TYR A 34 2.421 18.464 15.949 1.00118.47 H new ATOM 0 HB3 TYR A 34 2.903 19.973 15.200 1.00118.47 H new ATOM 0 HD1 TYR A 34 4.652 21.398 16.226 1.00118.47 H new ATOM 0 HD2 TYR A 34 3.521 17.640 17.959 1.00118.47 H new ATOM 0 HE1 TYR A 34 6.683 21.448 17.649 1.00118.47 H new ATOM 0 HE2 TYR A 34 5.547 17.688 19.389 1.00118.47 H new ATOM 0 HH TYR A 34 7.393 18.798 19.971 1.00118.47 H new ATOM 542 N CYS A 35 -0.061 18.959 15.712 1.00 56.06 N ATOM 543 CA CYS A 35 -1.338 18.852 14.925 1.00 56.06 C ATOM 544 C CYS A 35 -2.548 18.842 15.860 1.00 56.06 C ATOM 545 O CYS A 35 -3.604 19.331 15.514 1.00 56.06 O ATOM 546 CB CYS A 35 -1.337 17.625 13.987 1.00 56.06 C ATOM 547 SG CYS A 35 -1.481 16.061 14.894 1.00 56.06 S ATOM 0 H CYS A 35 0.450 18.086 15.845 1.00 56.06 H new ATOM 0 HA CYS A 35 -1.409 19.734 14.288 1.00 56.06 H new ATOM 0 HB2 CYS A 35 -2.163 17.710 13.281 1.00 56.06 H new ATOM 0 HB3 CYS A 35 -0.417 17.619 13.402 1.00 56.06 H new ATOM 0 HG CYS A 35 -0.992 16.206 16.090 1.00 56.06 H new ATOM 552 N GLY A 36 -2.387 18.388 17.069 1.00 19.15 N ATOM 553 CA GLY A 36 -3.517 18.463 18.034 1.00 19.15 C ATOM 554 C GLY A 36 -4.212 17.123 18.293 1.00 19.15 C ATOM 555 O GLY A 36 -5.159 17.085 19.050 1.00 19.15 O ATOM 0 H GLY A 36 -1.529 17.971 17.430 1.00 19.15 H new ATOM 0 HA2 GLY A 36 -3.146 18.856 18.981 1.00 19.15 H new ATOM 0 HA3 GLY A 36 -4.253 19.175 17.660 1.00 19.15 H new ATOM 559 N LYS A 37 -3.797 16.024 17.718 1.00 73.47 N ATOM 560 CA LYS A 37 -4.522 14.769 18.043 1.00 73.47 C ATOM 561 C LYS A 37 -4.495 14.648 19.575 1.00 73.47 C ATOM 562 O LYS A 37 -3.615 15.181 20.219 1.00 73.47 O ATOM 563 CB LYS A 37 -3.826 13.573 17.369 1.00 73.47 C ATOM 564 CG LYS A 37 -4.720 12.968 16.286 1.00 73.47 C ATOM 565 CD LYS A 37 -3.896 11.938 15.505 1.00 73.47 C ATOM 566 CE LYS A 37 -4.810 11.043 14.667 1.00 73.47 C ATOM 567 NZ LYS A 37 -5.315 9.926 15.514 1.00 73.47 N ATOM 0 H LYS A 37 -3.019 15.943 17.064 1.00 73.47 H new ATOM 0 HA LYS A 37 -5.549 14.781 17.678 1.00 73.47 H new ATOM 0 HB2 LYS A 37 -2.882 13.895 16.930 1.00 73.47 H new ATOM 0 HB3 LYS A 37 -3.588 12.816 18.116 1.00 73.47 H new ATOM 0 HG2 LYS A 37 -5.593 12.495 16.735 1.00 73.47 H new ATOM 0 HG3 LYS A 37 -5.087 13.747 15.618 1.00 73.47 H new ATOM 0 HD2 LYS A 37 -3.184 12.449 14.857 1.00 73.47 H new ATOM 0 HD3 LYS A 37 -3.315 11.328 16.197 1.00 73.47 H new ATOM 0 HE2 LYS A 37 -5.645 11.623 14.274 1.00 73.47 H new ATOM 0 HE3 LYS A 37 -4.265 10.647 13.810 1.00 73.47 H new ATOM 0 HZ1 LYS A 37 -5.937 9.315 14.948 1.00 73.47 H new ATOM 0 HZ2 LYS A 37 -4.512 9.369 15.869 1.00 73.47 H new ATOM 0 HZ3 LYS A 37 -5.849 10.314 16.318 1.00 73.47 H new ATOM 581 N ARG A 38 -5.439 13.991 20.175 1.00160.56 N ATOM 582 CA ARG A 38 -5.436 13.884 21.672 1.00160.56 C ATOM 583 C ARG A 38 -5.293 12.419 22.083 1.00160.56 C ATOM 584 O ARG A 38 -5.889 11.536 21.502 1.00160.56 O ATOM 585 CB ARG A 38 -6.719 14.489 22.236 1.00160.56 C ATOM 586 CG ARG A 38 -6.871 15.930 21.718 1.00160.56 C ATOM 587 CD ARG A 38 -7.741 16.734 22.679 1.00160.56 C ATOM 588 NE ARG A 38 -7.918 18.107 22.143 1.00160.56 N ATOM 589 CZ ARG A 38 -8.468 19.025 22.883 1.00160.56 C ATOM 590 NH1 ARG A 38 -8.873 18.731 24.087 1.00160.56 N ATOM 591 NH2 ARG A 38 -8.612 20.233 22.418 1.00160.56 N ATOM 0 H ARG A 38 -6.214 13.522 19.706 1.00160.56 H new ATOM 0 HA ARG A 38 -4.590 14.439 22.078 1.00160.56 H new ATOM 0 HB2 ARG A 38 -7.579 13.890 21.937 1.00160.56 H new ATOM 0 HB3 ARG A 38 -6.689 14.483 23.326 1.00160.56 H new ATOM 0 HG2 ARG A 38 -5.891 16.397 21.622 1.00160.56 H new ATOM 0 HG3 ARG A 38 -7.320 15.924 20.725 1.00160.56 H new ATOM 0 HD2 ARG A 38 -8.710 16.251 22.802 1.00160.56 H new ATOM 0 HD3 ARG A 38 -7.276 16.772 23.664 1.00160.56 H new ATOM 0 HE ARG A 38 -7.609 18.330 21.197 1.00160.56 H new ATOM 0 HH11 ARG A 38 -8.758 17.783 24.446 1.00160.56 H new ATOM 0 HH12 ARG A 38 -9.305 19.449 24.669 1.00160.56 H new ATOM 0 HH21 ARG A 38 -8.294 20.458 21.475 1.00160.56 H new ATOM 0 HH22 ARG A 38 -9.043 20.954 22.996 1.00160.56 H new ATOM 605 N PHE A 39 -4.499 12.149 23.100 1.00 72.45 N ATOM 606 CA PHE A 39 -4.297 10.741 23.553 1.00 72.45 C ATOM 607 C PHE A 39 -4.737 10.588 25.006 1.00 72.45 C ATOM 608 O PHE A 39 -4.841 11.555 25.750 1.00 72.45 O ATOM 609 CB PHE A 39 -2.813 10.399 23.455 1.00 72.45 C ATOM 610 CG PHE A 39 -2.366 10.638 22.041 1.00 72.45 C ATOM 611 CD1 PHE A 39 -2.078 11.936 21.608 1.00 72.45 C ATOM 612 CD2 PHE A 39 -2.269 9.562 21.158 1.00 72.45 C ATOM 613 CE1 PHE A 39 -1.695 12.157 20.282 1.00 72.45 C ATOM 614 CE2 PHE A 39 -1.882 9.781 19.834 1.00 72.45 C ATOM 615 CZ PHE A 39 -1.598 11.079 19.396 1.00 72.45 C ATOM 0 H PHE A 39 -3.984 12.850 23.633 1.00 72.45 H new ATOM 0 HA PHE A 39 -4.888 10.075 22.924 1.00 72.45 H new ATOM 0 HB2 PHE A 39 -2.235 11.014 24.145 1.00 72.45 H new ATOM 0 HB3 PHE A 39 -2.644 9.360 23.736 1.00 72.45 H new ATOM 0 HD1 PHE A 39 -2.151 12.765 22.296 1.00 72.45 H new ATOM 0 HD2 PHE A 39 -2.493 8.562 21.498 1.00 72.45 H new ATOM 0 HE1 PHE A 39 -1.474 13.158 19.942 1.00 72.45 H new ATOM 0 HE2 PHE A 39 -1.802 8.950 19.149 1.00 72.45 H new ATOM 0 HZ PHE A 39 -1.303 11.249 18.371 1.00 72.45 H new ATOM 625 N HIS A 40 -4.989 9.368 25.409 1.00 97.77 N ATOM 626 CA HIS A 40 -5.422 9.104 26.806 1.00 97.77 C ATOM 627 C HIS A 40 -4.241 8.617 27.652 1.00 97.77 C ATOM 628 O HIS A 40 -4.361 8.483 28.852 1.00 97.77 O ATOM 629 CB HIS A 40 -6.514 8.031 26.793 1.00 97.77 C ATOM 630 CG HIS A 40 -6.064 6.860 25.959 1.00 97.77 C ATOM 631 ND1 HIS A 40 -4.847 6.845 25.290 1.00 97.77 N ATOM 632 CD2 HIS A 40 -6.661 5.658 25.672 1.00 97.77 C ATOM 633 CE1 HIS A 40 -4.756 5.667 24.643 1.00 97.77 C ATOM 634 NE2 HIS A 40 -5.835 4.907 24.843 1.00 97.77 N ATOM 0 H HIS A 40 -4.911 8.539 24.820 1.00 97.77 H new ATOM 0 HA HIS A 40 -5.805 10.027 27.241 1.00 97.77 H new ATOM 0 HB2 HIS A 40 -6.729 7.704 27.810 1.00 97.77 H new ATOM 0 HB3 HIS A 40 -7.438 8.444 26.389 1.00 97.77 H new ATOM 0 HD2 HIS A 40 -7.628 5.343 26.036 1.00 97.77 H new ATOM 0 HE1 HIS A 40 -3.912 5.373 24.036 1.00 97.77 H new ATOM 0 HE2 HIS A 40 -6.015 3.976 24.468 1.00 97.77 H new ATOM 642 N GLN A 41 -3.101 8.351 27.054 1.00106.11 N ATOM 643 CA GLN A 41 -1.941 7.877 27.870 1.00106.11 C ATOM 644 C GLN A 41 -0.702 8.710 27.522 1.00106.11 C ATOM 645 O GLN A 41 -0.145 8.590 26.451 1.00106.11 O ATOM 646 CB GLN A 41 -1.658 6.399 27.587 1.00106.11 C ATOM 647 CG GLN A 41 -2.894 5.559 27.933 1.00106.11 C ATOM 648 CD GLN A 41 -2.703 4.133 27.407 1.00106.11 C ATOM 649 OE1 GLN A 41 -1.907 3.909 26.516 1.00106.11 O ATOM 650 NE2 GLN A 41 -3.397 3.150 27.921 1.00106.11 N ATOM 0 H GLN A 41 -2.927 8.440 26.053 1.00106.11 H new ATOM 0 HA GLN A 41 -2.181 7.993 28.927 1.00106.11 H new ATOM 0 HB2 GLN A 41 -1.397 6.264 26.537 1.00106.11 H new ATOM 0 HB3 GLN A 41 -0.803 6.064 28.174 1.00106.11 H new ATOM 0 HG2 GLN A 41 -3.046 5.543 29.012 1.00106.11 H new ATOM 0 HG3 GLN A 41 -3.786 6.005 27.492 1.00106.11 H new ATOM 0 HE21 GLN A 41 -4.066 3.334 28.669 1.00106.11 H new ATOM 0 HE22 GLN A 41 -3.269 2.199 27.574 1.00106.11 H new ATOM 659 N LYS A 42 -0.278 9.547 28.426 1.00136.29 N ATOM 660 CA LYS A 42 0.917 10.410 28.188 1.00136.29 C ATOM 661 C LYS A 42 1.912 9.730 27.241 1.00136.29 C ATOM 662 O LYS A 42 1.917 9.976 26.050 1.00136.29 O ATOM 663 CB LYS A 42 1.594 10.667 29.528 1.00136.29 C ATOM 664 CG LYS A 42 2.813 11.566 29.345 1.00136.29 C ATOM 665 CD LYS A 42 3.453 11.799 30.707 1.00136.29 C ATOM 666 CE LYS A 42 4.557 12.843 30.577 1.00136.29 C ATOM 667 NZ LYS A 42 5.113 13.153 31.925 1.00136.29 N ATOM 0 H LYS A 42 -0.716 9.673 29.338 1.00136.29 H new ATOM 0 HA LYS A 42 0.596 11.344 27.727 1.00136.29 H new ATOM 0 HB2 LYS A 42 0.889 11.135 30.215 1.00136.29 H new ATOM 0 HB3 LYS A 42 1.896 9.721 29.977 1.00136.29 H new ATOM 0 HG2 LYS A 42 3.528 11.101 28.666 1.00136.29 H new ATOM 0 HG3 LYS A 42 2.519 12.516 28.898 1.00136.29 H new ATOM 0 HD2 LYS A 42 2.702 12.136 31.421 1.00136.29 H new ATOM 0 HD3 LYS A 42 3.864 10.866 31.092 1.00136.29 H new ATOM 0 HE2 LYS A 42 5.347 12.473 29.923 1.00136.29 H new ATOM 0 HE3 LYS A 42 4.162 13.749 30.118 1.00136.29 H new ATOM 0 HZ1 LYS A 42 5.866 13.865 31.835 1.00136.29 H new ATOM 0 HZ2 LYS A 42 4.357 13.524 32.535 1.00136.29 H new ATOM 0 HZ3 LYS A 42 5.505 12.287 32.347 1.00136.29 H new ATOM 681 N SER A 43 2.730 8.870 27.750 1.00 65.22 N ATOM 682 CA SER A 43 3.721 8.154 26.898 1.00 65.22 C ATOM 683 C SER A 43 3.141 7.795 25.527 1.00 65.22 C ATOM 684 O SER A 43 3.859 7.764 24.556 1.00 65.22 O ATOM 685 CB SER A 43 4.141 6.889 27.645 1.00 65.22 C ATOM 686 OG SER A 43 4.289 7.208 29.024 1.00 65.22 O ATOM 0 H SER A 43 2.761 8.622 28.739 1.00 65.22 H new ATOM 0 HA SER A 43 4.578 8.802 26.714 1.00 65.22 H new ATOM 0 HB2 SER A 43 3.393 6.106 27.515 1.00 65.22 H new ATOM 0 HB3 SER A 43 5.078 6.505 27.242 1.00 65.22 H new ATOM 0 HG SER A 43 4.557 6.405 29.518 1.00 65.22 H new ATOM 692 N ASP A 44 1.865 7.555 25.405 1.00 40.66 N ATOM 693 CA ASP A 44 1.343 7.249 24.036 1.00 40.66 C ATOM 694 C ASP A 44 1.358 8.563 23.236 1.00 40.66 C ATOM 695 O ASP A 44 1.692 8.586 22.061 1.00 40.66 O ATOM 696 CB ASP A 44 -0.057 6.620 24.082 1.00 40.66 C ATOM 697 CG ASP A 44 -0.527 6.310 22.657 1.00 40.66 C ATOM 698 OD1 ASP A 44 0.274 6.448 21.746 1.00 40.66 O ATOM 699 OD2 ASP A 44 -1.678 5.935 22.501 1.00 40.66 O ATOM 0 H ASP A 44 1.180 7.555 26.161 1.00 40.66 H new ATOM 0 HA ASP A 44 1.976 6.506 23.550 1.00 40.66 H new ATOM 0 HB2 ASP A 44 -0.037 5.706 24.676 1.00 40.66 H new ATOM 0 HB3 ASP A 44 -0.757 7.300 24.567 1.00 40.66 H new ATOM 704 N MET A 45 1.072 9.668 23.867 1.00 31.66 N ATOM 705 CA MET A 45 1.154 10.969 23.138 1.00 31.66 C ATOM 706 C MET A 45 2.627 11.266 22.906 1.00 31.66 C ATOM 707 O MET A 45 3.048 11.634 21.837 1.00 31.66 O ATOM 708 CB MET A 45 0.605 12.098 24.007 0.50 31.66 C ATOM 709 CG MET A 45 1.097 13.453 23.459 0.50 31.66 C ATOM 710 SD MET A 45 2.516 14.021 24.433 1.00 31.66 S ATOM 711 CE MET A 45 1.596 14.545 25.902 1.00 31.66 C ATOM 0 H MET A 45 0.788 9.729 24.845 1.00 31.66 H new ATOM 0 HA MET A 45 0.586 10.904 22.210 1.00 31.66 H new ATOM 0 HB2 MET A 45 -0.485 12.070 24.013 0.50 31.66 H new ATOM 0 HB3 MET A 45 0.933 11.970 25.039 0.50 31.66 H new ATOM 0 HG2 MET A 45 1.379 13.353 22.411 0.50 31.66 H new ATOM 0 HG3 MET A 45 0.294 14.189 23.504 0.50 31.66 H new ATOM 0 HE1 MET A 45 2.165 15.307 26.435 1.00 31.66 H new ATOM 0 HE2 MET A 45 0.632 14.956 25.601 1.00 31.66 H new ATOM 0 HE3 MET A 45 1.437 13.688 26.556 1.00 31.66 H new ATOM 721 N LYS A 46 3.405 11.120 23.936 1.00103.12 N ATOM 722 CA LYS A 46 4.849 11.395 23.819 1.00103.12 C ATOM 723 C LYS A 46 5.356 10.630 22.606 1.00103.12 C ATOM 724 O LYS A 46 6.143 11.126 21.825 1.00103.12 O ATOM 725 CB LYS A 46 5.546 10.936 25.099 1.00103.12 C ATOM 726 CG LYS A 46 6.916 11.623 25.241 1.00103.12 C ATOM 727 CD LYS A 46 6.767 12.944 26.006 1.00103.12 C ATOM 728 CE LYS A 46 8.123 13.655 26.077 1.00103.12 C ATOM 729 NZ LYS A 46 8.249 14.604 24.935 1.00103.12 N ATOM 0 H LYS A 46 3.095 10.819 24.860 1.00103.12 H new ATOM 0 HA LYS A 46 5.053 12.458 23.691 1.00103.12 H new ATOM 0 HB2 LYS A 46 4.924 11.170 25.963 1.00103.12 H new ATOM 0 HB3 LYS A 46 5.675 9.854 25.082 1.00103.12 H new ATOM 0 HG2 LYS A 46 7.608 10.966 25.767 1.00103.12 H new ATOM 0 HG3 LYS A 46 7.341 11.811 24.255 1.00103.12 H new ATOM 0 HD2 LYS A 46 6.036 13.582 25.510 1.00103.12 H new ATOM 0 HD3 LYS A 46 6.392 12.753 27.012 1.00103.12 H new ATOM 0 HE2 LYS A 46 8.215 14.192 27.021 1.00103.12 H new ATOM 0 HE3 LYS A 46 8.931 12.924 26.046 1.00103.12 H new ATOM 0 HZ1 LYS A 46 9.249 14.854 24.800 1.00103.12 H new ATOM 0 HZ2 LYS A 46 7.884 14.157 24.070 1.00103.12 H new ATOM 0 HZ3 LYS A 46 7.701 15.465 25.137 1.00103.12 H new ATOM 743 N LYS A 47 4.868 9.439 22.410 1.00 48.51 N ATOM 744 CA LYS A 47 5.287 8.692 21.201 1.00 48.51 C ATOM 745 C LYS A 47 4.764 9.490 20.004 1.00 48.51 C ATOM 746 O LYS A 47 5.434 9.634 18.995 1.00 48.51 O ATOM 747 CB LYS A 47 4.708 7.267 21.200 1.00 48.51 C ATOM 748 CG LYS A 47 5.468 6.401 22.223 1.00 48.51 C ATOM 749 CD LYS A 47 5.321 4.905 21.897 1.00 48.51 C ATOM 750 CE LYS A 47 3.840 4.519 21.829 1.00 48.51 C ATOM 751 NZ LYS A 47 3.717 3.052 21.571 1.00 48.51 N ATOM 0 H LYS A 47 4.209 8.960 23.024 1.00 48.51 H new ATOM 0 HA LYS A 47 6.371 8.585 21.165 1.00 48.51 H new ATOM 0 HB2 LYS A 47 3.647 7.294 21.448 1.00 48.51 H new ATOM 0 HB3 LYS A 47 4.791 6.830 20.205 1.00 48.51 H new ATOM 0 HG2 LYS A 47 6.523 6.675 22.224 1.00 48.51 H new ATOM 0 HG3 LYS A 47 5.087 6.597 23.225 1.00 48.51 H new ATOM 0 HD2 LYS A 47 5.806 4.684 20.946 1.00 48.51 H new ATOM 0 HD3 LYS A 47 5.825 4.309 22.658 1.00 48.51 H new ATOM 0 HE2 LYS A 47 3.343 4.777 22.764 1.00 48.51 H new ATOM 0 HE3 LYS A 47 3.343 5.081 21.038 1.00 48.51 H new ATOM 0 HZ1 LYS A 47 3.035 2.891 20.803 1.00 48.51 H new ATOM 0 HZ2 LYS A 47 4.644 2.669 21.297 1.00 48.51 H new ATOM 0 HZ3 LYS A 47 3.386 2.574 22.434 1.00 48.51 H new ATOM 765 N HIS A 48 3.612 10.101 20.148 1.00 65.66 N ATOM 766 CA HIS A 48 3.088 10.966 19.044 1.00 65.66 C ATOM 767 C HIS A 48 4.053 12.166 18.898 1.00 65.66 C ATOM 768 O HIS A 48 4.760 12.319 17.913 1.00 65.66 O ATOM 769 CB HIS A 48 1.678 11.451 19.418 1.00 65.66 C ATOM 770 CG HIS A 48 1.116 12.319 18.333 1.00 65.66 C ATOM 771 ND1 HIS A 48 0.392 11.817 17.238 1.00 65.66 N ATOM 772 CD2 HIS A 48 1.158 13.672 18.162 1.00 65.66 C ATOM 773 CE1 HIS A 48 0.035 12.874 16.470 1.00 65.66 C ATOM 774 NE2 HIS A 48 0.483 13.992 17.013 1.00 65.66 N ATOM 0 H HIS A 48 3.017 10.039 20.974 1.00 65.66 H new ATOM 0 HA HIS A 48 3.028 10.420 18.102 1.00 65.66 H new ATOM 0 HB2 HIS A 48 1.024 10.594 19.582 1.00 65.66 H new ATOM 0 HB3 HIS A 48 1.715 12.008 20.354 1.00 65.66 H new ATOM 0 HD1 HIS A 48 0.175 10.837 17.055 1.00 65.66 H new ATOM 0 HD2 HIS A 48 1.643 14.375 18.823 1.00 65.66 H new ATOM 0 HE1 HIS A 48 -0.531 12.812 15.552 1.00 65.66 H new ATOM 782 N THR A 49 4.127 13.003 19.896 1.00 47.02 N ATOM 783 CA THR A 49 5.064 14.151 19.854 1.00 47.02 C ATOM 784 C THR A 49 6.401 13.707 19.283 1.00 47.02 C ATOM 785 O THR A 49 7.072 14.451 18.598 1.00 47.02 O ATOM 786 CB THR A 49 5.309 14.612 21.286 1.00 47.02 C ATOM 787 OG1 THR A 49 5.684 13.486 22.060 1.00 47.02 O ATOM 788 CG2 THR A 49 4.044 15.245 21.882 1.00 47.02 C ATOM 0 H THR A 49 3.569 12.936 20.747 1.00 47.02 H new ATOM 0 HA THR A 49 4.640 14.945 19.239 1.00 47.02 H new ATOM 0 HB THR A 49 6.099 15.363 21.291 1.00 47.02 H new ATOM 0 HG1 THR A 49 5.503 12.666 21.554 1.00 47.02 H new ATOM 0 HG21 THR A 49 4.245 15.566 22.904 1.00 47.02 H new ATOM 0 HG22 THR A 49 3.751 16.107 21.282 1.00 47.02 H new ATOM 0 HG23 THR A 49 3.237 14.513 21.883 1.00 47.02 H new ATOM 796 N PHE A 50 6.797 12.492 19.535 1.00 54.63 N ATOM 797 CA PHE A 50 8.097 12.005 18.984 1.00 54.63 C ATOM 798 C PHE A 50 7.967 11.796 17.462 1.00 54.63 C ATOM 799 O PHE A 50 8.931 11.951 16.727 1.00 54.63 O ATOM 800 CB PHE A 50 8.482 10.705 19.717 1.00 54.63 C ATOM 801 CG PHE A 50 9.330 11.036 20.942 1.00 54.63 C ATOM 802 CD1 PHE A 50 9.041 12.173 21.710 1.00 54.63 C ATOM 803 CD2 PHE A 50 10.416 10.217 21.297 1.00 54.63 C ATOM 804 CE1 PHE A 50 9.830 12.491 22.823 1.00 54.63 C ATOM 805 CE2 PHE A 50 11.208 10.541 22.410 1.00 54.63 C ATOM 806 CZ PHE A 50 10.914 11.678 23.171 1.00 54.63 C ATOM 0 H PHE A 50 6.281 11.815 20.096 1.00 54.63 H new ATOM 0 HA PHE A 50 8.888 12.738 19.144 1.00 54.63 H new ATOM 0 HB2 PHE A 50 7.584 10.167 20.019 1.00 54.63 H new ATOM 0 HB3 PHE A 50 9.036 10.048 19.046 1.00 54.63 H new ATOM 0 HD1 PHE A 50 8.207 12.806 21.443 1.00 54.63 H new ATOM 0 HD2 PHE A 50 10.641 9.337 20.713 1.00 54.63 H new ATOM 0 HE1 PHE A 50 9.601 13.366 23.414 1.00 54.63 H new ATOM 0 HE2 PHE A 50 12.044 9.913 22.679 1.00 54.63 H new ATOM 0 HZ PHE A 50 11.524 11.928 24.027 1.00 54.63 H new ATOM 816 N ILE A 51 6.775 11.508 16.971 1.00 99.09 N ATOM 817 CA ILE A 51 6.599 11.371 15.479 1.00 99.09 C ATOM 818 C ILE A 51 6.613 12.769 14.839 1.00 99.09 C ATOM 819 O ILE A 51 6.855 12.898 13.657 1.00 99.09 O ATOM 820 CB ILE A 51 5.304 10.631 15.084 1.00 99.09 C ATOM 821 CG1 ILE A 51 4.072 11.528 15.280 1.00 99.09 C ATOM 822 CG2 ILE A 51 5.150 9.359 15.911 1.00 99.09 C ATOM 823 CD1 ILE A 51 2.861 10.868 14.629 1.00 99.09 C ATOM 0 H ILE A 51 5.932 11.364 17.527 1.00 99.09 H new ATOM 0 HA ILE A 51 7.428 10.766 15.111 1.00 99.09 H new ATOM 0 HB ILE A 51 5.376 10.370 14.028 1.00 99.09 H new ATOM 0 HG12 ILE A 51 3.888 11.685 16.343 1.00 99.09 H new ATOM 0 HG13 ILE A 51 4.248 12.509 14.838 1.00 99.09 H new ATOM 0 HG21 ILE A 51 4.232 8.846 15.623 1.00 99.09 H new ATOM 0 HG22 ILE A 51 6.003 8.704 15.733 1.00 99.09 H new ATOM 0 HG23 ILE A 51 5.105 9.616 16.969 1.00 99.09 H new ATOM 0 HD11 ILE A 51 1.984 11.501 14.766 1.00 99.09 H new ATOM 0 HD12 ILE A 51 3.049 10.733 13.564 1.00 99.09 H new ATOM 0 HD13 ILE A 51 2.683 9.897 15.092 1.00 99.09 H new ATOM 835 N HIS A 52 6.415 13.818 15.595 1.00 59.33 N ATOM 836 CA HIS A 52 6.510 15.188 14.953 1.00 59.33 C ATOM 837 C HIS A 52 7.958 15.650 15.047 1.00 59.33 C ATOM 838 O HIS A 52 8.456 16.392 14.221 1.00 59.33 O ATOM 839 CB HIS A 52 5.730 16.260 15.701 1.00 59.33 C ATOM 840 CG HIS A 52 4.271 16.223 15.386 1.00 59.33 C ATOM 841 ND1 HIS A 52 3.715 16.659 14.165 1.00 59.33 N ATOM 842 CD2 HIS A 52 3.227 15.911 16.179 1.00 59.33 C ATOM 843 CE1 HIS A 52 2.365 16.597 14.297 1.00 59.33 C ATOM 844 NE2 HIS A 52 2.063 16.154 15.507 1.00 59.33 N ATOM 0 H HIS A 52 6.199 13.803 16.592 1.00 59.33 H new ATOM 0 HA HIS A 52 6.120 15.080 13.941 1.00 59.33 H new ATOM 0 HB2 HIS A 52 5.871 16.127 16.774 1.00 59.33 H new ATOM 0 HB3 HIS A 52 6.130 17.241 15.446 1.00 59.33 H new ATOM 0 HD1 HIS A 52 4.230 16.963 13.339 1.00 59.33 H new ATOM 0 HD2 HIS A 52 3.299 15.529 17.187 1.00 59.33 H new ATOM 0 HE1 HIS A 52 1.650 16.867 13.534 1.00 59.33 H new ATOM 852 N THR A 53 8.630 15.211 16.078 1.00 97.33 N ATOM 853 CA THR A 53 10.050 15.608 16.287 1.00 97.33 C ATOM 854 C THR A 53 10.934 14.806 15.344 1.00 97.33 C ATOM 855 O THR A 53 12.050 15.182 15.041 1.00 97.33 O ATOM 856 CB THR A 53 10.461 15.277 17.725 1.00 97.33 C ATOM 857 OG1 THR A 53 10.166 13.915 17.980 1.00 97.33 O ATOM 858 CG2 THR A 53 9.696 16.154 18.716 1.00 97.33 C ATOM 0 H THR A 53 8.250 14.588 16.791 1.00 97.33 H new ATOM 0 HA THR A 53 10.160 16.676 16.098 1.00 97.33 H new ATOM 0 HB THR A 53 11.528 15.464 17.846 1.00 97.33 H new ATOM 0 HG1 THR A 53 9.698 13.532 17.209 1.00 97.33 H new ATOM 0 HG21 THR A 53 10.001 15.905 19.733 1.00 97.33 H new ATOM 0 HG22 THR A 53 9.915 17.203 18.518 1.00 97.33 H new ATOM 0 HG23 THR A 53 8.626 15.980 18.605 1.00 97.33 H new ATOM 866 N GLY A 54 10.461 13.682 14.912 1.00 23.68 N ATOM 867 CA GLY A 54 11.271 12.804 14.029 1.00 23.68 C ATOM 868 C GLY A 54 12.079 11.849 14.912 1.00 23.68 C ATOM 869 O GLY A 54 13.127 11.360 14.538 1.00 23.68 O ATOM 0 H GLY A 54 9.532 13.325 15.135 1.00 23.68 H new ATOM 0 HA2 GLY A 54 10.624 12.242 13.355 1.00 23.68 H new ATOM 0 HA3 GLY A 54 11.937 13.402 13.407 1.00 23.68 H new ATOM 873 N GLU A 55 11.612 11.645 16.107 1.00 47.26 N ATOM 874 CA GLU A 55 12.340 10.779 17.075 1.00 47.26 C ATOM 875 C GLU A 55 11.984 9.304 16.904 1.00 47.26 C ATOM 876 O GLU A 55 10.834 8.904 16.923 1.00 47.26 O ATOM 877 CB GLU A 55 12.014 11.241 18.491 1.00 47.26 C ATOM 878 CG GLU A 55 12.859 12.481 18.794 1.00 47.26 C ATOM 879 CD GLU A 55 12.454 13.077 20.142 1.00 47.26 C ATOM 880 OE1 GLU A 55 11.536 12.552 20.751 1.00 47.26 O ATOM 881 OE2 GLU A 55 13.068 14.053 20.538 1.00 47.26 O ATOM 0 H GLU A 55 10.744 12.046 16.462 1.00 47.26 H new ATOM 0 HA GLU A 55 13.409 10.872 16.885 1.00 47.26 H new ATOM 0 HB2 GLU A 55 10.953 11.473 18.581 1.00 47.26 H new ATOM 0 HB3 GLU A 55 12.229 10.449 19.209 1.00 47.26 H new ATOM 0 HG2 GLU A 55 13.916 12.216 18.808 1.00 47.26 H new ATOM 0 HG3 GLU A 55 12.727 13.222 18.006 1.00 47.26 H new ATOM 888 N LYS A 56 12.994 8.505 16.757 1.00 86.79 N ATOM 889 CA LYS A 56 12.807 7.038 16.603 1.00 86.79 C ATOM 890 C LYS A 56 13.874 6.344 17.453 1.00 86.79 C ATOM 891 O LYS A 56 14.899 5.912 16.961 1.00 86.79 O ATOM 892 CB LYS A 56 12.963 6.660 15.130 1.00 86.79 C ATOM 893 CG LYS A 56 11.910 7.408 14.299 1.00 86.79 C ATOM 894 CD LYS A 56 11.873 6.842 12.877 1.00 86.79 C ATOM 895 CE LYS A 56 10.983 7.729 12.004 1.00 86.79 C ATOM 896 NZ LYS A 56 9.718 8.038 12.732 1.00 86.79 N ATOM 0 H LYS A 56 13.967 8.812 16.736 1.00 86.79 H new ATOM 0 HA LYS A 56 11.814 6.731 16.930 1.00 86.79 H new ATOM 0 HB2 LYS A 56 13.964 6.913 14.782 1.00 86.79 H new ATOM 0 HB3 LYS A 56 12.845 5.584 15.004 1.00 86.79 H new ATOM 0 HG2 LYS A 56 10.929 7.310 14.765 1.00 86.79 H new ATOM 0 HG3 LYS A 56 12.145 8.472 14.271 1.00 86.79 H new ATOM 0 HD2 LYS A 56 12.881 6.799 12.464 1.00 86.79 H new ATOM 0 HD3 LYS A 56 11.490 5.822 12.889 1.00 86.79 H new ATOM 0 HE2 LYS A 56 11.506 8.652 11.754 1.00 86.79 H new ATOM 0 HE3 LYS A 56 10.760 7.225 11.064 1.00 86.79 H new ATOM 0 HZ1 LYS A 56 8.985 8.319 12.050 1.00 86.79 H new ATOM 0 HZ2 LYS A 56 9.402 7.195 13.252 1.00 86.79 H new ATOM 0 HZ3 LYS A 56 9.884 8.816 13.402 1.00 86.79 H new ATOM 910 N PRO A 57 13.650 6.276 18.736 1.00151.44 N ATOM 911 CA PRO A 57 14.607 5.673 19.694 1.00151.44 C ATOM 912 C PRO A 57 14.759 4.168 19.508 1.00151.44 C ATOM 913 O PRO A 57 15.679 3.576 20.034 1.00151.44 O ATOM 914 CB PRO A 57 14.039 6.001 21.095 1.00151.44 C ATOM 915 CG PRO A 57 12.925 6.973 20.869 1.00151.44 C ATOM 916 CD PRO A 57 12.460 6.775 19.422 1.00151.44 C ATOM 0 HA PRO A 57 15.608 6.077 19.543 1.00151.44 H new ATOM 0 HB2 PRO A 57 13.677 5.100 21.590 1.00151.44 H new ATOM 0 HB3 PRO A 57 14.808 6.431 21.737 1.00151.44 H new ATOM 0 HG2 PRO A 57 12.107 6.794 21.567 1.00151.44 H new ATOM 0 HG3 PRO A 57 13.264 7.996 21.031 1.00151.44 H new ATOM 0 HD2 PRO A 57 11.636 6.064 19.361 1.00151.44 H new ATOM 0 HD3 PRO A 57 12.108 7.709 18.984 1.00151.44 H new ATOM 924 N HIS A 58 13.894 3.539 18.759 1.00 42.67 N ATOM 925 CA HIS A 58 14.060 2.069 18.563 1.00 42.67 C ATOM 926 C HIS A 58 14.805 1.833 17.251 1.00 42.67 C ATOM 927 O HIS A 58 14.210 1.747 16.194 1.00 42.67 O ATOM 928 CB HIS A 58 12.693 1.392 18.525 1.00 42.67 C ATOM 929 CG HIS A 58 11.947 1.702 19.791 1.00 42.67 C ATOM 930 ND1 HIS A 58 11.119 2.738 20.135 1.00 42.67 N flip ATOM 931 CD2 HIS A 58 12.001 0.874 20.902 1.00 42.67 C flip ATOM 932 CE1 HIS A 58 10.659 2.558 21.436 1.00 42.67 C flip ATOM 933 NE2 HIS A 58 11.221 1.420 21.852 1.00 42.67 N flip ATOM 0 H HIS A 58 13.098 3.965 18.285 1.00 42.67 H new ATOM 0 HA HIS A 58 14.630 1.644 19.389 1.00 42.67 H new ATOM 0 HB2 HIS A 58 12.126 1.740 17.661 1.00 42.67 H new ATOM 0 HB3 HIS A 58 12.812 0.314 18.415 1.00 42.67 H new ATOM 0 HD1 HIS A 58 10.877 3.522 19.529 1.00 42.67 H new ATOM 0 HD2 HIS A 58 12.566 -0.042 20.989 1.00 42.67 H new ATOM 0 HE1 HIS A 58 9.991 3.201 21.990 1.00 42.67 H new ATOM 941 N LYS A 59 16.106 1.752 17.303 1.00 72.96 N ATOM 942 CA LYS A 59 16.888 1.545 16.055 1.00 72.96 C ATOM 943 C LYS A 59 17.131 0.055 15.832 1.00 72.96 C ATOM 944 O LYS A 59 17.718 -0.624 16.645 1.00 72.96 O ATOM 945 CB LYS A 59 18.236 2.256 16.158 1.00 72.96 C ATOM 946 CG LYS A 59 18.002 3.722 16.501 1.00 72.96 C ATOM 947 CD LYS A 59 19.345 4.432 16.647 1.00 72.96 C ATOM 948 CE LYS A 59 19.111 5.864 17.125 1.00 72.96 C ATOM 949 NZ LYS A 59 20.412 6.590 17.169 1.00 72.96 N ATOM 0 H LYS A 59 16.660 1.820 18.157 1.00 72.96 H new ATOM 0 HA LYS A 59 16.321 1.954 15.219 1.00 72.96 H new ATOM 0 HB2 LYS A 59 18.852 1.785 16.924 1.00 72.96 H new ATOM 0 HB3 LYS A 59 18.778 2.172 15.216 1.00 72.96 H new ATOM 0 HG2 LYS A 59 17.410 4.199 15.720 1.00 72.96 H new ATOM 0 HG3 LYS A 59 17.433 3.803 17.427 1.00 72.96 H new ATOM 0 HD2 LYS A 59 19.976 3.898 17.357 1.00 72.96 H new ATOM 0 HD3 LYS A 59 19.872 4.437 15.693 1.00 72.96 H new ATOM 0 HE2 LYS A 59 18.420 6.374 16.455 1.00 72.96 H new ATOM 0 HE3 LYS A 59 18.651 5.859 18.113 1.00 72.96 H new ATOM 0 HZ1 LYS A 59 20.255 7.565 17.494 1.00 72.96 H new ATOM 0 HZ2 LYS A 59 21.058 6.106 17.825 1.00 72.96 H new ATOM 0 HZ3 LYS A 59 20.833 6.606 16.218 1.00 72.96 H new ATOM 963 N CYS A 60 16.699 -0.450 14.718 1.00 38.91 N ATOM 964 CA CYS A 60 16.932 -1.891 14.425 1.00 38.91 C ATOM 965 C CYS A 60 18.419 -2.073 14.092 1.00 38.91 C ATOM 966 O CYS A 60 18.950 -1.462 13.187 1.00 38.91 O ATOM 967 CB CYS A 60 16.041 -2.346 13.258 1.00 38.91 C ATOM 968 SG CYS A 60 16.932 -3.563 12.263 1.00 38.91 S ATOM 0 H CYS A 60 16.196 0.067 13.997 1.00 38.91 H new ATOM 0 HA CYS A 60 16.674 -2.504 15.289 1.00 38.91 H new ATOM 0 HB2 CYS A 60 15.116 -2.778 13.639 1.00 38.91 H new ATOM 0 HB3 CYS A 60 15.763 -1.490 12.643 1.00 38.91 H new ATOM 0 HG CYS A 60 16.084 -4.255 11.562 1.00 38.91 H new ATOM 973 N GLN A 61 19.095 -2.904 14.837 1.00124.00 N ATOM 974 CA GLN A 61 20.554 -3.132 14.608 1.00124.00 C ATOM 975 C GLN A 61 20.749 -4.175 13.519 1.00124.00 C ATOM 976 O GLN A 61 21.848 -4.626 13.266 1.00124.00 O ATOM 977 CB GLN A 61 21.180 -3.648 15.909 1.00124.00 C ATOM 978 CG GLN A 61 20.442 -3.050 17.105 1.00124.00 C ATOM 979 CD GLN A 61 20.530 -1.527 17.042 1.00124.00 C ATOM 980 OE1 GLN A 61 20.029 -0.913 16.122 1.00124.00 O ATOM 981 NE2 GLN A 61 21.156 -0.886 17.990 1.00124.00 N ATOM 0 H GLN A 61 18.695 -3.443 15.605 1.00124.00 H new ATOM 0 HA GLN A 61 21.026 -2.198 14.302 1.00124.00 H new ATOM 0 HB2 GLN A 61 21.127 -4.736 15.943 1.00124.00 H new ATOM 0 HB3 GLN A 61 22.235 -3.379 15.948 1.00124.00 H new ATOM 0 HG2 GLN A 61 19.399 -3.366 17.098 1.00124.00 H new ATOM 0 HG3 GLN A 61 20.879 -3.413 18.035 1.00124.00 H new ATOM 0 HE21 GLN A 61 21.577 -1.402 18.763 1.00124.00 H new ATOM 0 HE22 GLN A 61 21.225 0.131 17.959 1.00124.00 H new ATOM 990 N VAL A 62 19.695 -4.565 12.873 1.00 56.07 N ATOM 991 CA VAL A 62 19.828 -5.582 11.801 1.00 56.07 C ATOM 992 C VAL A 62 20.039 -4.883 10.455 1.00 56.07 C ATOM 993 O VAL A 62 21.026 -5.099 9.782 1.00 56.07 O ATOM 994 CB VAL A 62 18.550 -6.418 11.746 1.00 56.07 C ATOM 995 CG1 VAL A 62 18.732 -7.601 10.784 1.00 56.07 C ATOM 996 CG2 VAL A 62 18.216 -6.926 13.152 1.00 56.07 C ATOM 0 H VAL A 62 18.748 -4.225 13.039 1.00 56.07 H new ATOM 0 HA VAL A 62 20.682 -6.227 12.009 1.00 56.07 H new ATOM 0 HB VAL A 62 17.729 -5.800 11.381 1.00 56.07 H new ATOM 0 HG11 VAL A 62 17.815 -8.189 10.753 1.00 56.07 H new ATOM 0 HG12 VAL A 62 18.957 -7.227 9.785 1.00 56.07 H new ATOM 0 HG13 VAL A 62 19.554 -8.228 11.130 1.00 56.07 H new ATOM 0 HG21 VAL A 62 17.305 -7.523 13.116 1.00 56.07 H new ATOM 0 HG22 VAL A 62 19.037 -7.540 13.522 1.00 56.07 H new ATOM 0 HG23 VAL A 62 18.068 -6.077 13.820 1.00 56.07 H new ATOM 1006 N CYS A 63 19.100 -4.067 10.056 1.00 63.83 N ATOM 1007 CA CYS A 63 19.218 -3.370 8.734 1.00 63.83 C ATOM 1008 C CYS A 63 19.442 -1.840 8.865 1.00 63.83 C ATOM 1009 O CYS A 63 19.828 -1.203 7.907 1.00 63.83 O ATOM 1010 CB CYS A 63 17.967 -3.667 7.898 1.00 63.83 C ATOM 1011 SG CYS A 63 16.515 -2.841 8.581 1.00 63.83 S ATOM 0 H CYS A 63 18.255 -3.851 10.585 1.00 63.83 H new ATOM 0 HA CYS A 63 20.106 -3.758 8.235 1.00 63.83 H new ATOM 0 HB2 CYS A 63 18.126 -3.338 6.871 1.00 63.83 H new ATOM 0 HB3 CYS A 63 17.795 -4.743 7.865 1.00 63.83 H new ATOM 0 HG CYS A 63 16.497 -2.993 9.872 1.00 63.83 H new ATOM 1016 N GLY A 64 19.266 -1.248 10.017 1.00 23.81 N ATOM 1017 CA GLY A 64 19.542 0.225 10.152 1.00 23.81 C ATOM 1018 C GLY A 64 18.278 1.084 10.011 1.00 23.81 C ATOM 1019 O GLY A 64 18.368 2.294 9.919 1.00 23.81 O ATOM 0 H GLY A 64 18.946 -1.711 10.868 1.00 23.81 H new ATOM 0 HA2 GLY A 64 19.999 0.417 11.123 1.00 23.81 H new ATOM 0 HA3 GLY A 64 20.266 0.525 9.394 1.00 23.81 H new ATOM 1023 N LYS A 65 17.114 0.511 10.042 1.00120.74 N ATOM 1024 CA LYS A 65 15.882 1.351 9.970 1.00120.74 C ATOM 1025 C LYS A 65 15.573 1.778 11.413 1.00120.74 C ATOM 1026 O LYS A 65 16.161 1.261 12.342 1.00120.74 O ATOM 1027 CB LYS A 65 14.724 0.520 9.385 1.00120.74 C ATOM 1028 CG LYS A 65 13.818 1.383 8.495 1.00120.74 C ATOM 1029 CD LYS A 65 12.804 0.480 7.775 1.00120.74 C ATOM 1030 CE LYS A 65 13.430 -0.130 6.516 1.00120.74 C ATOM 1031 NZ LYS A 65 13.872 0.955 5.593 1.00120.74 N ATOM 0 H LYS A 65 16.956 -0.494 10.113 1.00120.74 H new ATOM 0 HA LYS A 65 16.017 2.221 9.328 1.00120.74 H new ATOM 0 HB2 LYS A 65 15.126 -0.310 8.804 1.00120.74 H new ATOM 0 HB3 LYS A 65 14.137 0.087 10.195 1.00120.74 H new ATOM 0 HG2 LYS A 65 13.296 2.126 9.099 1.00120.74 H new ATOM 0 HG3 LYS A 65 14.418 1.929 7.767 1.00120.74 H new ATOM 0 HD2 LYS A 65 12.474 -0.313 8.446 1.00120.74 H new ATOM 0 HD3 LYS A 65 11.920 1.058 7.506 1.00120.74 H new ATOM 0 HE2 LYS A 65 14.279 -0.756 6.788 1.00120.74 H new ATOM 0 HE3 LYS A 65 12.707 -0.774 6.015 1.00120.74 H new ATOM 0 HZ1 LYS A 65 13.813 0.620 4.610 1.00120.74 H new ATOM 0 HZ2 LYS A 65 13.257 1.785 5.714 1.00120.74 H new ATOM 0 HZ3 LYS A 65 14.855 1.217 5.811 1.00120.74 H new ATOM 1045 N ALA A 66 14.704 2.728 11.626 1.00 39.51 N ATOM 1046 CA ALA A 66 14.427 3.171 13.025 1.00 39.51 C ATOM 1047 C ALA A 66 12.922 3.248 13.251 1.00 39.51 C ATOM 1048 O ALA A 66 12.162 3.562 12.353 1.00 39.51 O ATOM 1049 CB ALA A 66 15.050 4.551 13.244 1.00 39.51 C ATOM 0 H ALA A 66 14.177 3.214 10.900 1.00 39.51 H new ATOM 0 HA ALA A 66 14.857 2.457 13.727 1.00 39.51 H new ATOM 0 HB1 ALA A 66 14.852 4.882 14.264 1.00 39.51 H new ATOM 0 HB2 ALA A 66 16.127 4.494 13.084 1.00 39.51 H new ATOM 0 HB3 ALA A 66 14.616 5.262 12.541 1.00 39.51 H new ATOM 1055 N PHE A 67 12.477 2.922 14.432 1.00 62.57 N ATOM 1056 CA PHE A 67 11.014 2.932 14.701 1.00 62.57 C ATOM 1057 C PHE A 67 10.663 3.737 15.950 1.00 62.57 C ATOM 1058 O PHE A 67 11.401 3.781 16.929 1.00 62.57 O ATOM 1059 CB PHE A 67 10.570 1.486 14.897 1.00 62.57 C ATOM 1060 CG PHE A 67 10.942 0.718 13.659 1.00 62.57 C ATOM 1061 CD1 PHE A 67 10.055 0.668 12.581 1.00 62.57 C ATOM 1062 CD2 PHE A 67 12.187 0.081 13.576 1.00 62.57 C ATOM 1063 CE1 PHE A 67 10.407 -0.023 11.421 1.00 62.57 C ATOM 1064 CE2 PHE A 67 12.541 -0.607 12.411 1.00 62.57 C ATOM 1065 CZ PHE A 67 11.650 -0.655 11.335 1.00 62.57 C ATOM 0 H PHE A 67 13.063 2.649 15.221 1.00 62.57 H new ATOM 0 HA PHE A 67 10.506 3.402 13.859 1.00 62.57 H new ATOM 0 HB2 PHE A 67 11.053 1.054 15.774 1.00 62.57 H new ATOM 0 HB3 PHE A 67 9.495 1.437 15.068 1.00 62.57 H new ATOM 0 HD1 PHE A 67 9.098 1.164 12.645 1.00 62.57 H new ATOM 0 HD2 PHE A 67 12.872 0.121 14.410 1.00 62.57 H new ATOM 0 HE1 PHE A 67 9.719 -0.069 10.590 1.00 62.57 H new ATOM 0 HE2 PHE A 67 13.500 -1.100 12.343 1.00 62.57 H new ATOM 0 HZ PHE A 67 11.924 -1.183 10.433 1.00 62.57 H new ATOM 1075 N SER A 68 9.521 4.354 15.918 1.00 84.84 N ATOM 1076 CA SER A 68 9.051 5.145 17.084 1.00 84.84 C ATOM 1077 C SER A 68 8.597 4.195 18.178 1.00 84.84 C ATOM 1078 O SER A 68 8.770 4.467 19.350 1.00 84.84 O ATOM 1079 CB SER A 68 7.865 6.016 16.686 1.00 84.84 C ATOM 1080 OG SER A 68 8.266 6.933 15.682 1.00 84.84 O ATOM 0 H SER A 68 8.883 4.344 15.122 1.00 84.84 H new ATOM 0 HA SER A 68 9.868 5.776 17.434 1.00 84.84 H new ATOM 0 HB2 SER A 68 7.050 5.393 16.319 1.00 84.84 H new ATOM 0 HB3 SER A 68 7.488 6.555 17.555 1.00 84.84 H new ATOM 0 HG SER A 68 7.503 7.138 15.103 1.00 84.84 H new ATOM 1086 N GLN A 69 7.982 3.085 17.820 1.00 93.39 N ATOM 1087 CA GLN A 69 7.491 2.147 18.876 1.00 93.39 C ATOM 1088 C GLN A 69 8.201 0.799 18.809 1.00 93.39 C ATOM 1089 O GLN A 69 8.463 0.247 17.747 1.00 93.39 O ATOM 1090 CB GLN A 69 5.990 1.911 18.703 1.00 93.39 C ATOM 1091 CG GLN A 69 5.305 3.187 18.208 1.00 93.39 C ATOM 1092 CD GLN A 69 3.794 2.956 18.187 1.00 93.39 C ATOM 1093 OE1 GLN A 69 3.330 1.884 18.522 1.00 93.39 O ATOM 1094 NE2 GLN A 69 3.003 3.918 17.807 1.00 93.39 N ATOM 0 H GLN A 69 7.804 2.796 16.858 1.00 93.39 H new ATOM 0 HA GLN A 69 7.701 2.607 19.842 1.00 93.39 H new ATOM 0 HB2 GLN A 69 5.822 1.101 17.993 1.00 93.39 H new ATOM 0 HB3 GLN A 69 5.552 1.600 19.651 1.00 93.39 H new ATOM 0 HG2 GLN A 69 5.550 4.025 18.861 1.00 93.39 H new ATOM 0 HG3 GLN A 69 5.662 3.445 17.211 1.00 93.39 H new ATOM 0 HE21 GLN A 69 3.393 4.818 17.526 1.00 93.39 H new ATOM 0 HE22 GLN A 69 1.994 3.772 17.790 1.00 93.39 H new ATOM 1103 N SER A 70 8.479 0.250 19.952 1.00 67.34 N ATOM 1104 CA SER A 70 9.130 -1.073 19.992 1.00 67.34 C ATOM 1105 C SER A 70 8.217 -2.065 19.278 1.00 67.34 C ATOM 1106 O SER A 70 8.660 -2.907 18.551 1.00 67.34 O ATOM 1107 CB SER A 70 9.318 -1.521 21.437 1.00 67.34 C ATOM 1108 OG SER A 70 8.072 -1.984 21.945 1.00 67.34 O ATOM 0 H SER A 70 8.281 0.666 20.862 1.00 67.34 H new ATOM 0 HA SER A 70 10.106 -1.023 19.510 1.00 67.34 H new ATOM 0 HB2 SER A 70 10.064 -2.313 21.491 1.00 67.34 H new ATOM 0 HB3 SER A 70 9.687 -0.693 22.043 1.00 67.34 H new ATOM 0 HG SER A 70 8.185 -2.276 22.874 1.00 67.34 H new ATOM 1114 N SER A 71 6.940 -1.963 19.496 1.00 68.68 N ATOM 1115 CA SER A 71 5.978 -2.891 18.842 1.00 68.68 C ATOM 1116 C SER A 71 6.277 -2.987 17.357 1.00 68.68 C ATOM 1117 O SER A 71 6.261 -4.059 16.786 1.00 68.68 O ATOM 1118 CB SER A 71 4.564 -2.361 19.050 1.00 68.68 C ATOM 1119 OG SER A 71 3.718 -2.849 18.020 1.00 68.68 O ATOM 0 H SER A 71 6.514 -1.267 20.108 1.00 68.68 H new ATOM 0 HA SER A 71 6.070 -3.884 19.282 1.00 68.68 H new ATOM 0 HB2 SER A 71 4.187 -2.674 20.024 1.00 68.68 H new ATOM 0 HB3 SER A 71 4.569 -1.271 19.045 1.00 68.68 H new ATOM 0 HG SER A 71 2.809 -2.509 18.155 1.00 68.68 H new ATOM 1125 N ASN A 72 6.569 -1.900 16.726 1.00 33.83 N ATOM 1126 CA ASN A 72 6.889 -1.990 15.273 1.00 33.83 C ATOM 1127 C ASN A 72 8.303 -2.546 15.127 1.00 33.83 C ATOM 1128 O ASN A 72 8.597 -3.261 14.192 1.00 33.83 O ATOM 1129 CB ASN A 72 6.748 -0.618 14.618 1.00 33.83 C ATOM 1130 CG ASN A 72 5.306 -0.134 14.825 1.00 33.83 C ATOM 1131 OD1 ASN A 72 4.515 -0.814 15.447 1.00 33.83 O ATOM 1132 ND2 ASN A 72 4.919 1.016 14.335 1.00 33.83 N ATOM 0 H ASN A 72 6.603 -0.966 17.134 1.00 33.83 H new ATOM 0 HA ASN A 72 6.193 -2.659 14.767 1.00 33.83 H new ATOM 0 HB2 ASN A 72 7.453 0.088 15.058 1.00 33.83 H new ATOM 0 HB3 ASN A 72 6.980 -0.679 13.555 1.00 33.83 H new ATOM 0 HD21 ASN A 72 3.960 1.334 14.477 1.00 33.83 H new ATOM 0 HD22 ASN A 72 5.576 1.594 13.811 1.00 33.83 H new ATOM 1139 N LEU A 73 9.163 -2.289 16.089 1.00 75.65 N ATOM 1140 CA LEU A 73 10.531 -2.886 16.022 1.00 75.65 C ATOM 1141 C LEU A 73 10.391 -4.383 16.272 1.00 75.65 C ATOM 1142 O LEU A 73 10.787 -5.172 15.467 1.00 75.65 O ATOM 1143 CB LEU A 73 11.465 -2.263 17.072 1.00 75.65 C ATOM 1144 CG LEU A 73 12.805 -3.023 17.134 1.00 75.65 C ATOM 1145 CD1 LEU A 73 13.571 -2.866 15.814 1.00 75.65 C ATOM 1146 CD2 LEU A 73 13.649 -2.446 18.276 1.00 75.65 C ATOM 0 H LEU A 73 8.978 -1.702 16.902 1.00 75.65 H new ATOM 0 HA LEU A 73 10.970 -2.691 15.043 1.00 75.65 H new ATOM 0 HB2 LEU A 73 11.647 -1.216 16.828 1.00 75.65 H new ATOM 0 HB3 LEU A 73 10.985 -2.284 18.050 1.00 75.65 H new ATOM 0 HG LEU A 73 12.608 -4.082 17.303 1.00 75.65 H new ATOM 0 HD11 LEU A 73 14.515 -3.408 15.874 1.00 75.65 H new ATOM 0 HD12 LEU A 73 12.973 -3.268 14.996 1.00 75.65 H new ATOM 0 HD13 LEU A 73 13.770 -1.810 15.632 1.00 75.65 H new ATOM 0 HD21 LEU A 73 14.600 -2.976 18.330 1.00 75.65 H new ATOM 0 HD22 LEU A 73 13.834 -1.387 18.093 1.00 75.65 H new ATOM 0 HD23 LEU A 73 13.115 -2.563 19.219 1.00 75.65 H new ATOM 1158 N ILE A 74 9.806 -4.784 17.361 1.00 27.72 N ATOM 1159 CA ILE A 74 9.619 -6.241 17.612 1.00 27.72 C ATOM 1160 C ILE A 74 9.085 -6.903 16.335 1.00 27.72 C ATOM 1161 O ILE A 74 9.629 -7.879 15.862 1.00 27.72 O ATOM 1162 CB ILE A 74 8.615 -6.408 18.761 1.00 27.72 C ATOM 1163 CG1 ILE A 74 9.191 -5.775 20.037 1.00 27.72 C ATOM 1164 CG2 ILE A 74 8.340 -7.896 19.012 1.00 27.72 C ATOM 1165 CD1 ILE A 74 8.173 -5.866 21.178 1.00 27.72 C ATOM 0 H ILE A 74 9.448 -4.168 18.091 1.00 27.72 H new ATOM 0 HA ILE A 74 10.564 -6.712 17.884 1.00 27.72 H new ATOM 0 HB ILE A 74 7.681 -5.914 18.491 1.00 27.72 H new ATOM 0 HG12 ILE A 74 10.112 -6.284 20.320 1.00 27.72 H new ATOM 0 HG13 ILE A 74 9.447 -4.732 19.851 1.00 27.72 H new ATOM 0 HG21 ILE A 74 7.626 -8.001 19.829 1.00 27.72 H new ATOM 0 HG22 ILE A 74 7.927 -8.347 18.110 1.00 27.72 H new ATOM 0 HG23 ILE A 74 9.271 -8.399 19.276 1.00 27.72 H new ATOM 0 HD11 ILE A 74 8.593 -5.414 22.077 1.00 27.72 H new ATOM 0 HD12 ILE A 74 7.263 -5.336 20.897 1.00 27.72 H new ATOM 0 HD13 ILE A 74 7.938 -6.912 21.374 1.00 27.72 H new ATOM 1177 N THR A 75 8.027 -6.385 15.773 1.00 95.20 N ATOM 1178 CA THR A 75 7.476 -7.004 14.526 1.00 95.20 C ATOM 1179 C THR A 75 8.525 -6.941 13.411 1.00 95.20 C ATOM 1180 O THR A 75 8.757 -7.894 12.692 1.00 95.20 O ATOM 1181 CB THR A 75 6.222 -6.250 14.080 1.00 95.20 C ATOM 1182 OG1 THR A 75 5.163 -6.537 14.983 1.00 95.20 O ATOM 1183 CG2 THR A 75 5.824 -6.701 12.670 1.00 95.20 C ATOM 0 H THR A 75 7.522 -5.568 16.116 1.00 95.20 H new ATOM 0 HA THR A 75 7.220 -8.044 14.731 1.00 95.20 H new ATOM 0 HB THR A 75 6.423 -5.179 14.072 1.00 95.20 H new ATOM 0 HG1 THR A 75 4.356 -6.056 14.704 1.00 95.20 H new ATOM 0 HG21 THR A 75 4.930 -6.163 12.354 1.00 95.20 H new ATOM 0 HG22 THR A 75 6.638 -6.490 11.977 1.00 95.20 H new ATOM 0 HG23 THR A 75 5.620 -7.772 12.675 1.00 95.20 H new ATOM 1191 N HIS A 76 9.143 -5.812 13.251 1.00 66.30 N ATOM 1192 CA HIS A 76 10.163 -5.640 12.184 1.00 66.30 C ATOM 1193 C HIS A 76 11.361 -6.572 12.475 1.00 66.30 C ATOM 1194 O HIS A 76 11.946 -7.192 11.589 1.00 66.30 O ATOM 1195 CB HIS A 76 10.544 -4.151 12.222 1.00 66.30 C ATOM 1196 CG HIS A 76 11.771 -3.888 11.431 1.00 66.30 C ATOM 1197 ND1 HIS A 76 11.734 -3.250 10.186 1.00 66.30 N ATOM 1198 CD2 HIS A 76 13.076 -4.211 11.657 1.00 66.30 C ATOM 1199 CE1 HIS A 76 12.993 -3.225 9.712 1.00 66.30 C ATOM 1200 NE2 HIS A 76 13.811 -3.791 10.582 1.00 66.30 N ATOM 0 H HIS A 76 8.983 -4.984 13.824 1.00 66.30 H new ATOM 0 HA HIS A 76 9.804 -5.907 11.190 1.00 66.30 H new ATOM 0 HB2 HIS A 76 9.721 -3.553 11.830 1.00 66.30 H new ATOM 0 HB3 HIS A 76 10.701 -3.840 13.255 1.00 66.30 H new ATOM 0 HD1 HIS A 76 10.906 -2.874 9.724 1.00 66.30 H new ATOM 0 HD2 HIS A 76 13.463 -4.711 12.532 1.00 66.30 H new ATOM 0 HE1 HIS A 76 13.291 -2.805 8.762 1.00 66.30 H new ATOM 1208 N SER A 77 11.700 -6.702 13.722 1.00 87.23 N ATOM 1209 CA SER A 77 12.811 -7.590 14.115 1.00 87.23 C ATOM 1210 C SER A 77 12.351 -9.027 13.877 1.00 87.23 C ATOM 1211 O SER A 77 13.128 -9.886 13.517 1.00 87.23 O ATOM 1212 CB SER A 77 13.156 -7.359 15.595 1.00 87.23 C ATOM 1213 OG SER A 77 13.038 -8.578 16.310 1.00 87.23 O ATOM 0 H SER A 77 11.243 -6.220 14.496 1.00 87.23 H new ATOM 0 HA SER A 77 13.708 -7.386 13.530 1.00 87.23 H new ATOM 0 HB2 SER A 77 14.170 -6.970 15.685 1.00 87.23 H new ATOM 0 HB3 SER A 77 12.488 -6.610 16.021 1.00 87.23 H new ATOM 0 HG SER A 77 13.260 -8.427 17.252 1.00 87.23 H new ATOM 1219 N ARG A 78 11.078 -9.279 14.034 1.00 73.27 N ATOM 1220 CA ARG A 78 10.557 -10.643 13.774 1.00 73.27 C ATOM 1221 C ARG A 78 10.778 -10.950 12.298 1.00 73.27 C ATOM 1222 O ARG A 78 11.150 -12.047 11.929 1.00 73.27 O ATOM 1223 CB ARG A 78 9.059 -10.693 14.109 1.00 73.27 C ATOM 1224 CG ARG A 78 8.863 -10.640 15.630 1.00 73.27 C ATOM 1225 CD ARG A 78 8.709 -12.059 16.187 1.00 73.27 C ATOM 1226 NE ARG A 78 9.073 -12.069 17.634 1.00 73.27 N ATOM 1227 CZ ARG A 78 8.195 -11.720 18.537 1.00 73.27 C ATOM 1228 NH1 ARG A 78 6.990 -11.369 18.177 1.00 73.27 N ATOM 1229 NH2 ARG A 78 8.521 -11.726 19.802 1.00 73.27 N ATOM 0 H ARG A 78 10.381 -8.596 14.331 1.00 73.27 H new ATOM 0 HA ARG A 78 11.071 -11.379 14.392 1.00 73.27 H new ATOM 0 HB2 ARG A 78 8.544 -9.856 13.638 1.00 73.27 H new ATOM 0 HB3 ARG A 78 8.618 -11.606 13.708 1.00 73.27 H new ATOM 0 HG2 ARG A 78 9.715 -10.147 16.098 1.00 73.27 H new ATOM 0 HG3 ARG A 78 7.980 -10.048 15.871 1.00 73.27 H new ATOM 0 HD2 ARG A 78 7.683 -12.402 16.057 1.00 73.27 H new ATOM 0 HD3 ARG A 78 9.348 -12.749 15.636 1.00 73.27 H new ATOM 0 HE ARG A 78 10.011 -12.349 17.920 1.00 73.27 H new ATOM 0 HH11 ARG A 78 6.733 -11.367 17.190 1.00 73.27 H new ATOM 0 HH12 ARG A 78 6.306 -11.097 18.883 1.00 73.27 H new ATOM 0 HH21 ARG A 78 9.461 -12.003 20.085 1.00 73.27 H new ATOM 0 HH22 ARG A 78 7.836 -11.454 20.507 1.00 73.27 H new ATOM 1243 N LYS A 79 10.589 -9.986 11.435 1.00 80.85 N ATOM 1244 CA LYS A 79 10.838 -10.276 9.999 1.00 80.85 C ATOM 1245 C LYS A 79 12.298 -10.680 9.863 1.00 80.85 C ATOM 1246 O LYS A 79 12.610 -11.654 9.211 1.00 80.85 O ATOM 1247 CB LYS A 79 10.517 -9.068 9.116 1.00 80.85 C ATOM 1248 CG LYS A 79 9.023 -8.746 9.251 1.00 80.85 C ATOM 1249 CD LYS A 79 8.688 -7.466 8.483 1.00 80.85 C ATOM 1250 CE LYS A 79 7.256 -7.026 8.819 1.00 80.85 C ATOM 1251 NZ LYS A 79 6.356 -8.217 8.879 1.00 80.85 N ATOM 0 H LYS A 79 10.282 -9.039 11.656 1.00 80.85 H new ATOM 0 HA LYS A 79 10.185 -11.082 9.663 1.00 80.85 H new ATOM 0 HB2 LYS A 79 11.118 -8.210 9.417 1.00 80.85 H new ATOM 0 HB3 LYS A 79 10.765 -9.283 8.077 1.00 80.85 H new ATOM 0 HG2 LYS A 79 8.429 -9.575 8.868 1.00 80.85 H new ATOM 0 HG3 LYS A 79 8.763 -8.627 10.303 1.00 80.85 H new ATOM 0 HD2 LYS A 79 9.393 -6.677 8.745 1.00 80.85 H new ATOM 0 HD3 LYS A 79 8.785 -7.637 7.411 1.00 80.85 H new ATOM 0 HE2 LYS A 79 7.243 -6.501 9.774 1.00 80.85 H new ATOM 0 HE3 LYS A 79 6.896 -6.325 8.066 1.00 80.85 H new ATOM 0 HZ1 LYS A 79 5.365 -7.907 8.818 1.00 80.85 H new ATOM 0 HZ2 LYS A 79 6.569 -8.854 8.085 1.00 80.85 H new ATOM 0 HZ3 LYS A 79 6.506 -8.721 9.776 1.00 80.85 H new ATOM 1265 N HIS A 80 13.207 -9.983 10.500 1.00 46.01 N ATOM 1266 CA HIS A 80 14.622 -10.444 10.380 1.00 46.01 C ATOM 1267 C HIS A 80 14.707 -11.853 10.960 1.00 46.01 C ATOM 1268 O HIS A 80 15.449 -12.688 10.481 1.00 46.01 O ATOM 1269 CB HIS A 80 15.591 -9.561 11.161 1.00 46.01 C ATOM 1270 CG HIS A 80 15.703 -8.214 10.519 1.00 46.01 C ATOM 1271 ND1 HIS A 80 15.930 -8.026 9.145 1.00 46.01 N ATOM 1272 CD2 HIS A 80 15.622 -6.969 11.059 1.00 46.01 C ATOM 1273 CE1 HIS A 80 15.973 -6.690 8.923 1.00 46.01 C ATOM 1274 NE2 HIS A 80 15.802 -6.038 10.062 1.00 46.01 N ATOM 0 H HIS A 80 13.043 -9.154 11.071 1.00 46.01 H new ATOM 0 HA HIS A 80 14.900 -10.405 9.327 1.00 46.01 H new ATOM 0 HB2 HIS A 80 15.246 -9.453 12.189 1.00 46.01 H new ATOM 0 HB3 HIS A 80 16.572 -10.034 11.202 1.00 46.01 H new ATOM 0 HD1 HIS A 80 16.042 -8.759 8.445 1.00 46.01 H new ATOM 0 HD2 HIS A 80 15.445 -6.747 12.101 1.00 46.01 H new ATOM 0 HE1 HIS A 80 16.124 -6.226 7.960 1.00 46.01 H new ATOM 1282 N THR A 81 13.950 -12.129 12.004 1.00 89.50 N ATOM 1283 CA THR A 81 13.992 -13.495 12.614 1.00 89.50 C ATOM 1284 C THR A 81 12.805 -14.291 12.068 1.00 89.50 C ATOM 1285 O THR A 81 12.335 -15.229 12.680 1.00 89.50 O ATOM 1286 CB THR A 81 13.890 -13.393 14.149 1.00 89.50 C ATOM 1287 OG1 THR A 81 14.827 -12.440 14.633 1.00 89.50 O ATOM 1288 CG2 THR A 81 14.170 -14.756 14.791 1.00 89.50 C ATOM 0 H THR A 81 13.313 -11.471 12.453 1.00 89.50 H new ATOM 0 HA THR A 81 14.931 -13.990 12.365 1.00 89.50 H new ATOM 0 HB THR A 81 12.881 -13.076 14.411 1.00 89.50 H new ATOM 0 HG1 THR A 81 14.514 -11.536 14.420 1.00 89.50 H new ATOM 0 HG21 THR A 81 14.095 -14.670 15.875 1.00 89.50 H new ATOM 0 HG22 THR A 81 13.441 -15.483 14.433 1.00 89.50 H new ATOM 0 HG23 THR A 81 15.174 -15.086 14.522 1.00 89.50 H new ATOM 1296 N GLY A 82 12.319 -13.910 10.917 1.00 8.65 N ATOM 1297 CA GLY A 82 11.159 -14.619 10.310 1.00 8.65 C ATOM 1298 C GLY A 82 10.104 -14.884 11.385 1.00 8.65 C ATOM 0 H GLY A 82 12.681 -13.130 10.368 1.00 8.65 H new ATOM 0 HA2 GLY A 82 10.732 -14.019 9.507 1.00 8.65 H new ATOM 0 HA3 GLY A 82 11.486 -15.559 9.866 1.00 8.65 H new